SCHEMBL317536

SCHEMBL317536

COc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
MAPT P10636 4/20 0.66
LMNA P02545 2/20 0.66
MAPK1 P28482 2/20 0.66
TSHR P16473 2/20 0.62
CYP3A4 P08684 2/20 0.62
HPGD P15428 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54

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
SCHEMBL9687621 0.86 TSHR (0.64) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL425259 0.85 TSHR (0.62) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL810817 0.83 ALDH1A1 (0.65) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL15509277 0.83 TSHR (0.60) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL11302992 0.81 TSHR (0.58) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL998108 0.81 TSHR (0.58) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL9423816 0.81 ALDH1A1 (0.62) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL20328418 0.81 TDP1 (0.66) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL397931 0.81 TDP1 (0.66) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL20328412 0.81 TDP1 (0.66) ALDH1A1MAPTLMNAMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101475500-A Clean production method of 3-amino-4-methoxytoluene ZHENGQIANG WANG (CN) 2009-07-08 CN 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
EP-4692096-A1 MACROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Prime Gene Therapeutics Co., Ltd. (CN) 2026-02-11 EP disclosed
CN-223011294-U Cleaner tank for clecetin production 鄄城泰瑞化工有限公司 2025-06-24 CN disclosed
WO-2024188246-A9 NITROGEN-CONTAINING MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2024-12-05 WO disclosed
US-4436625-A Method for purification of cresidine sulfonic acid by solvent extraction BUFFALO COLOR CORP. (US) 1984-03-13 US disclosed
EP-0045423-B1 PROCESS FOR THE ALPHA-HALOGENATION OF POSSIBLY SUBSTITUTED METHYL AROMATICS BAYER AG (DE) 1984-02-22 EP disclosed
EP-0045423-A1 Process for the alpha-halogenation of possibly substituted methyl aromatics BAYER AG (DE) 1982-02-10 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 (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-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 ALDH1A1 1573/4885MAPT 4365/4885LMNA 1041/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR ALDH1A1 3674/4885MAPT 4202/4885LMNA 794/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR ALDH1A1 4419/4885MAPT 4090/4885LMNA 1470/4885

“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.