Sugi Predict

Sugi Predict / Compounds / SCHEMBL317535

SCHEMBL317535

SCHEMBL317535

[CH2]c1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ TUBB4A P04350 2/20 0.53
▸ TUBB P07437 2/20 0.53
▸ TUBA3C P0DPH7 2/20 0.53
▸ TUBA1B P68363 2/20 0.53
▸ TUBA4A P68366 2/20 0.53
▸ TUBB4B P68371 2/20 0.53
▸ TUBB3 Q13509 2/20 0.53
▸ TUBB2A Q13885 2/20 0.53
▸ TUBB8 Q3ZCM7 2/20 0.53
▸ TUBA3E Q6PEY2 2/20 0.53
▸ TUBA1A Q71U36 2/20 0.53
▸ TUBA1C Q9BQE3 2/20 0.53
▸ TUBB6 Q9BUF5 2/20 0.53
▸ TUBB2B Q9BVA1 2/20 0.53
▸ TUBB1 Q9H4B7 2/20 0.53
▸ AGTR1 P30556 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GRIN2D O15399 2/20 0.48

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
SCHEMBL423843 0.85 ALDH1A1 (0.56) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL16958967 0.81 PDK1 (0.57) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL16960691 0.81 LMNA (0.51) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL10802204 0.80 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2CYP3A4TSHR
SCHEMBL20328418 0.79 TDP1 (0.66) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL20328412 0.79 TDP1 (0.66) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL29351649 0.79 TDP1 (0.66) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL397931 0.79 TDP1 (0.66) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL29650091 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL317536 0.79 ALDH1A1 (0.66) ALDH1A1TDP1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369754-A Nitrate compound and its application 镇江利众医药科技有限公司 2019-02-22 — — CN claimed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 — — EP claimed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 — — EP claimed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 — — WO claimed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 — — US claimed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 — — EP claimed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 — — US claimed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 — — US claimed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 — — US claimed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 — — US claimed
EP-1976528-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-08 — — EP claimed
EP-1973886-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2008-10-01 — — EP claimed
WO-2007079214-A2 PROKINETICIN 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 — — WO claimed
WO-2007079163-A2 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-12 — — WO claimed
CN-109369754-A Nitrate compound and its application 镇江利众医药科技有限公司 2019-02-22 — — CN disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO disclosed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 — — US disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 — — US disclosed
CN-1342145-A fused ring compound and pharmaceutical use thereof JAPAN TOBACCO INC (JP) 2002-03-27 — — CN disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 — — EP 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-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR ALDH1A1 652/4885TDP1 2264/4885TUBB4A 2714/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 ALDH1A1 1573/4885TDP1 3266/4885TUBB4A 3091/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C ALDH1A1 463/4885TDP1 3646/4885TUBB4A 2443/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR ALDH1A1 3674/4885TDP1 4130/4885TUBB4A 4272/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR ALDH1A1 4419/4885TDP1 4548/4885TUBB4A 3603/4885

“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.