Sugi Predict

Sugi Predict / Compounds / SCHEMBL1601620

SCHEMBL1601620

SCHEMBL1601620

Nc1ccc(Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PKM P14618 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL30989211 0.91 TDP1 (0.62) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL2929031 0.91 TDP1 (0.62) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL24074477 0.87 TDP1 (0.53) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL27986576 0.84 HTR1A (0.50) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL7811089 0.84 POLB (0.63) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL10920095 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL10359525 0.81 TSHR (0.53) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL12798874 0.80 TDP1 (0.62) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL1601110 0.80 IDH1 (0.58) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL9511525 0.80 VCAM1 (0.56) ALDH1A1MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016025744-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-02-18 — — WO disclosed
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 — — EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 — — EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 — — EP disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 — — US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 — — US disclosed
US-7919519-B2 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease EPIX PHARMACEUTICALS INC. (US) 2011-04-05 — — US disclosed
EP-0214102-B1 5-ARALKYL-SUBSTITUTED 2H-BENZOTRIAZOLES AND STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1990-05-23 — — EP disclosed
US-4891424-A INTERMEDIATES FOR BENZOTRIAZOLE STABILIZERS CIBA-GEIGY CORPORATION (US) 1990-01-02 — — US disclosed
US-4861813-A 5-Aralkyl substituted 2h-benzotriazoles in stabilized compositions CIBA-GEIGY CORPORATION (US) 1989-08-29 — — US disclosed
US-4760148-A 5-aralkyl substituted 2H-benzotriazoles and stabilized compositions CIBA-GEIGY CORPORATION (US) 1988-07-26 — — US disclosed
US-4704452-A YELLOW SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1987-11-03 — — US disclosed
US-4700003-A DISPERSION DYESTUFF INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1987-10-13 — — US disclosed
EP-0214102-A2 5-Aralkyl-substituted 2H-benzotriazoles and stabilized compositions CIBA-GEIGY AG (CH) 1987-03-11 — — EP disclosed
EP-0186627-A2 Orthonitroanilines and process for their preparation CIBA-GEIGY AG (CH) 1986-07-02 — — EP disclosed
EP-0185620-A2 Monoazo compounds CIBA-GEIGY AG (CH) 1986-06-25 — — EP disclosed
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 — — 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 (1 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-20110212940-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR5, S1PR2 ALDH1A1 2501/4885MEN1 484/4885KMT2A 3866/4885

“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.