SCHEMBL2373683

SCHEMBL2373683

CC(C)Oc1cc(Br)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR8 Q9NR97 1/20 0.39
APP P05067 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
AR P10275 1/20 0.37
EP300 Q09472 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CSNK2A1 P68400 2/20 0.36
MCHR1 Q99705 1/20 0.35

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
SCHEMBL31439555 0.84 POLB (0.46) HRH4ALDH1A1MAPTPOLBLMNA
SCHEMBL16700915 0.84 POLB (0.46) HRH4ALDH1A1MAPTPOLBLMNA
SCHEMBL14994818 0.80 KDM4E (0.37) HRH4ALDH1A1MAPTPOLBLMNA
SCHEMBL9070294 0.79 ALDH1A1 (0.59) ALDH1A1MAPTPOLBTLR8KDM4E
SCHEMBL7519140 0.79 ALDH1A1 (0.44) ALDH1A1MAPTPOLBHTTTLR8
SCHEMBL11470307 0.78 ALDH1A1 (0.63) ALDH1A1MAPTPOLBLMNATLR8
Hydrochloric Acid SCHEMBL9781178 0.78 ALDH1A1 (0.57) ALDH1A1MAPTPOLBTLR8KDM4E
SCHEMBL1341730 0.78 CYP3A4 (0.48) ALDH1A1POLBSMN1; SMN2TLR8EP300
SCHEMBL155113 0.77 ALDH1A1 (0.61) ALDH1A1MAPTPOLBHTTAPP
SCHEMBL25298194 0.77 SLC6A4 (0.40) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
US-20200165241-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2020-05-28 US disclosed
US-20200165241-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2020-05-28 US disclosed
US-10544095-B2 3-indol substituted derivatives, pharmaceutical compositions and methods for use PFIZER INC. (US) 2020-01-28 US disclosed
US-10479788-B2 Compounds that inhibit MPS1 kinase CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-11-19 US disclosed
US-10479788-B2 Compounds that inhibit MPS1 kinase CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-11-19 US disclosed
US-20160222009-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-04 US disclosed
US-20160220570-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-04 US disclosed
US-20160222009-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-04 US disclosed
US-20150239884-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-27 US disclosed
US-20150239884-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-27 US disclosed
US-20150239884-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-27 US disclosed
EP-2892889-A1 INHIBITOR COMPOUNDS Cancer Research Technology Ltd (GB) 2015-07-15 EP disclosed
WO-2014037750-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-03-13 WO disclosed
WO-2014037750-A1 INHIBITOR COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-03-13 WO disclosed
WO-2011119693-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 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-10479788-B2 Compounds that inhibit MPS1 kinase BUB1B, BUB1, CDK1 HRH4 3319/4885ALDH1A1 4006/4885MAPT 1459/4885
US-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HRH4 2730/4885ALDH1A1 3742/4885MAPT 1323/4885
US-20150239884-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HRH4 2730/4885ALDH1A1 3742/4885MAPT 1323/4885
US-11046688-B2 Inhibitor compounds BUB1B, BUB1, CDK1 HRH4 2730/4885ALDH1A1 3742/4885MAPT 1323/4885
US-20160222009-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HRH4 2730/4885ALDH1A1 3742/4885MAPT 1323/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 HRH4 2730/4885ALDH1A1 3742/4885MAPT 1323/4885
US-10544095-B2 3-indol substituted derivatives, pharmaceutical compositions and methods for use TDO2, IDO1, IDO2 HRH4 2332/4885ALDH1A1 615/4885MAPT 46/4885
US-20200165241-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HRH4 2730/4885ALDH1A1 3742/4885MAPT 1323/4885
US-20160220570-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 HRH4 2730/4885ALDH1A1 3742/4885MAPT 1323/4885

“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.