SCHEMBL4638491

SCHEMBL4638491

NC(=O)c1cc(F)cc2c1OCOC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.65
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPK8 P45983 1/20 0.56
CXCR5 P32302 1/20 0.54
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
APEX1 P27695 1/20 0.45
F11 P03951 1/20 0.44
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
POLB P06746 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PLIN1 O60240 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
LTC4S Q16873 1/20 0.32

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
SCHEMBL643308 0.86 ALDH1A1 (0.60) PARP1ALDH1A1KDM4EMAPK8CXCR5
SCHEMBL31258843 0.86 ALDH1A1 (0.60) PARP1ALDH1A1KDM4EMAPK8CXCR5
SCHEMBL14192672 0.84 ALDH1A1 (0.59) PARP1ALDH1A1KDM4EMAPK8CXCR5
Hydrochloric Acid SCHEMBL4260079 0.84 ALDH1A1 (0.59) PARP1ALDH1A1KDM4EMAPK8CXCR5
SCHEMBL4260072 0.84 ALDH1A1 (0.59) PARP1ALDH1A1KDM4EMAPK8CXCR5
SCHEMBL15372279 0.82 KDM4E (0.56) PARP1ALDH1A1KDM4EMAPK8CXCR5
SCHEMBL26054620 0.81 ALDH1A1 (0.55) PARP1ALDH1A1KDM4EMAPK8CXCR5
SCHEMBL5530927 0.79 MAPK8 (0.51) PARP1ALDH1A1KDM4EMAPK8CXCR5
SCHEMBL1525798 0.76 ALDH1A1 (0.49) PARP1ALDH1A1KDM4EMAPK8CXCR5
SCHEMBL6361054 0.76 KDM4E (0.62) PARP1ALDH1A1KDM4EMAPK8CXCR5

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
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-06-24 US disclosed
EP-3621619-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VISCERAL PAIN Arena Pharmaceuticals, Inc. (US) 2020-03-18 EP disclosed
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2020-03-12 US disclosed
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2018-12-13 US disclosed
WO-2018208848-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VISCERAL PAIN ARENA PHARMACEUTICALS, INC. (US) 2018-11-15 WO disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US disclosed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO 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 (9 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 PARP1 3111/4885ALDH1A1 2251/4885KDM4E 4268/4885
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 PARP1 771/4885ALDH1A1 3623/4885KDM4E 3533/4885
US-20200078358-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 PARP1 2775/4885ALDH1A1 603/4885KDM4E 2319/4885
US-20180354907-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 PARP1 771/4885ALDH1A1 3623/4885KDM4E 3533/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 PARP1 3111/4885ALDH1A1 2251/4885KDM4E 4268/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 PARP1 771/4885ALDH1A1 3623/4885KDM4E 3533/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 PARP1 771/4885ALDH1A1 3623/4885KDM4E 3533/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 PARP1 2775/4885ALDH1A1 603/4885KDM4E 2319/4885
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 PARP1 771/4885ALDH1A1 3623/4885KDM4E 3533/4885

“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.