SCHEMBL7794063

SCHEMBL7794063

Cc1ccc(NCC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
BLM P54132 1/20 0.44
PLEC Q15149 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL6698868 0.98 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL146034 0.90 IDO1 (0.45) MAPTSMN1; SMN2ALDH1A1HSP90AA1GAA
SCHEMBL8898926 0.82 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL22622594 0.82 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL5713045 0.82 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL25095026 0.81 TSHR (0.40) MAPTSMN1; SMN2ALDH1A1HPGDHSP90AA1
Water SCHEMBL7968667 0.80 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL11518042 0.80 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL33609 0.79 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL14081111 0.79 IDO1 (0.43) MAPTSMN1; SMN2ALDH1A1HTTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016097394-A1 BICYCLIC SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 WO claimed
WO-2024020572-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PTSD NEW YORK STEM CELL FOUNDATION, INC. (US) 2024-01-25 WO disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-11660286-B2 Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products EPICENTRX, INC. (US) 2023-05-30 US disclosed
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-08-25 US disclosed
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-08-25 US disclosed
US-20200022952-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS EPICENTRX, INC. 2020-01-23 US disclosed
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-07-04 US disclosed
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-07-04 US disclosed
US-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-5817877-A Metal-catalyzed amination of organic sulfonates to organic amines YALE UNIVERSITY (US) 1998-10-06 US disclosed
US-4833243-A BENZOOXAZOLES OR BENZOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1989-05-23 US disclosed
US-4756741-A Azolyloxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4645525-A Azolyoxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1987-02-24 US disclosed
US-4528379-A Preparation of substituted thiadiazolyloxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-07-09 US disclosed
US-4509971-A Benzothiazole substituted carboxylic acid amide compounds and herbicidal methods compositions thereof BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed
US-4455428-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 US disclosed
US-4399285-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4334073-A BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed
US-4317674-A Diurethanes, process for making the same and selective herbicide composition containing same SCHERING AG (DE) 1982-03-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11660286-B2 Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products HBB, HBG2, HBZ MAPT 4665/4885SMN1; SMN2 838/4885ALDH1A1 1464/4885
US-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) RORA, RORB, RORC MAPT 673/4885SMN1; SMN2 4630/4885ALDH1A1 590/4885
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC MAPT 664/4885SMN1; SMN2 4627/4885ALDH1A1 587/4885
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) RORA, RORB, RORC MAPT 664/4885SMN1; SMN2 4627/4885ALDH1A1 587/4885
US-20200022952-A1 METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS HBB, HBG2, HBZ MAPT 4665/4885SMN1; SMN2 838/4885ALDH1A1 1464/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.