SCHEMBL3042980

SCHEMBL3042980

Fc1ccccc1N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 3/20 0.56
POLB P06746 1/20 0.56
HSD17B10 Q99714 2/20 0.55
KEAP1 Q14145 1/20 0.54
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 4/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 2/20 0.52
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL6005480 0.98 KEAP1 (0.57) ALDH1A1TSHRSMN1; SMN2KDM4EPOLB
SCHEMBL1239113 0.98 KEAP1 (0.57) ALDH1A1TSHRSMN1; SMN2KDM4EPOLB
SCHEMBL30851436 0.98 KEAP1 (0.57) ALDH1A1TSHRSMN1; SMN2KDM4EPOLB
Hydrochloric Acid SCHEMBL27412576 0.96 KEAP1 (0.55) ALDH1A1TSHRSMN1; SMN2KDM4EPOLB
SCHEMBL23161511 0.95 SMN1; SMN2 (0.56) ALDH1A1TSHRSMN1; SMN2KDM4EPOLB
SCHEMBL29709408 0.87 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2KDM4EPOLB
SCHEMBL4717743 0.82 NCF1 (0.59) ALDH1A1TSHRSMN1; SMN2KDM4EPOLB
SCHEMBL19187683 0.82 ADRB1 (0.55) ALDH1A1TSHRKDM4EHSD17B10CYP1A2
SCHEMBL1267622 0.82 SMN1; SMN2 (0.53) ALDH1A1TSHRSMN1; SMN2KDM4EPOLB
SCHEMBL5716237 0.82 DRD2 (0.47) ALDH1A1TSHRSMN1; SMN2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211805-A2 N-(2-fluorophenyl)azolidines CIBA-GEIGY AG (CH) 1987-02-25 EP claimed
CN-117126093-B Preparation method of voronoi intermediate 潍坊医学院 2023-12-29 CN disclosed
CN-117126093-A Preparation method of voronoi intermediate 潍坊医学院 2023-11-28 CN disclosed
EP-3788042-A1 BCL-2 INHIBITORS BeiGene, Ltd. (KY) 2021-03-10 EP disclosed
US-9624238-B2 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 US disclosed
US-9447088-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2016-09-20 US disclosed
US-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-09-11 US disclosed
US-20140200199-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. 2014-07-17 US disclosed
US-8754078-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2014-06-17 US disclosed
EP-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
EP-0364797-B1 N-aryl-nitrogenated heterocycles, process for their preparation and their use as herbicides BAYER AG (DE) 1994-02-16 EP disclosed
EP-0211805-A3 N-(2-FLUOROPHENYL)AZOLIDINES CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed
EP-0211805-A3 N-(2-FLUOROPHENYL)AZOLIDINES CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed
EP-0211805-A2 N-(2-fluorophenyl)azolidines CIBA-GEIGY AG (CH) 1987-02-25 EP disclosed
EP-0211805-A2 N-(2-fluorophenyl)azolidines CIBA-GEIGY AG (CH) 1987-02-25 EP disclosed
EP-0211805-A2 N-(2-fluorophenyl)azolidines CIBA-GEIGY AG (CH) 1987-02-25 EP disclosed
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
US-4268438-A Cationic 1,3,4-thiadiazole dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 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 (3 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-20140256784-A1 4H-THIENO[3,2-C]CHROMENE-BASED INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, CES1, ACHE ALDH1A1 1022/4885TSHR 3034/4885SMN1; SMN2 3963/4885
US-20140200199-A1 Compositions and Methods for Treatment of Cancer MKI67, NUP205, TP53 ALDH1A1 1248/4885TSHR 4626/4885SMN1; SMN2 2196/4885
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER MKI67, NUP205, TP53 ALDH1A1 1248/4885TSHR 4626/4885SMN1; SMN2 2196/4885

“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.