SCHEMBL3852333

SCHEMBL3852333

O=C(CBr)NCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TP53 P04637 1/20 0.50

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
SCHEMBL23929061 0.84 SMN1; SMN2 (0.82) KMT2ASMN1; SMN2POLBTDP1CA12
SCHEMBL3464761 0.84 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2POLBTDP1CA12
SCHEMBL5176558 0.84 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2POLBTDP1CA12
SCHEMBL3464764 0.84 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2POLBTDP1CA12
SCHEMBL10013657 0.83 CA12 (0.55) KMT2ASMN1; SMN2POLBCA12CA1
SCHEMBL18628077 0.82 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2POLBTDP1CA12
SCHEMBL992153 0.82 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2POLBTDP1CA12
Hydrochloric Acid SCHEMBL5047728 0.82 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2POLBTDP1CA12
SCHEMBL24391511 0.82 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2POLBTDP1CA12
SCHEMBL2697889 0.82 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2POLBTDP1CA12

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074523-B Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2022-08-09 CN disclosed
CN-112074523-A Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2020-12-11 CN disclosed
US-9709557-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2017-07-18 US disclosed
US-9709557-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2017-07-18 US disclosed
US-20150168383-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation 2015-06-18 US disclosed
US-20150168383-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation 2015-06-18 US disclosed
US-8999965-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2015-04-07 US disclosed
US-8999965-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2015-04-07 US disclosed
EP-1888082-B1 MOTILIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2012-09-12 EP disclosed
US-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation (US) 2012-02-02 US disclosed
US-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation (US) 2012-02-02 US disclosed
US-7582611-B2 Treating disorders of gastric motility; decreasing side effects of erythromycin A PFIZER INC. (US) 2009-09-01 US disclosed
EP-1888082-A4 MOTILIDE COMPOUNDS PFIZER (US) 2008-12-17 EP disclosed
EP-1888082-A1 MOTILIDE COMPOUNDS Pfizer, Inc. (US) 2008-02-20 EP disclosed
WO-2006127252-A1 MOTILIDE COMPOUNDS PFIZER, INC. (US) 2006-11-30 WO disclosed
US-20060270616-A1 Motilide compounds PFIZER INC. 2006-11-30 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 (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-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF ANTXR2, AAAS, IK KMT2A 4543/4885SMN1; SMN2 4791/4885POLB 1704/4885
US-20060270616-A1 Motilide compounds MLNR, PROKR1, GIPR KMT2A 4195/4885SMN1; SMN2 240/4885POLB 1908/4885
US-20150168383-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF ANTXR2, AAAS, IK KMT2A 4543/4885SMN1; SMN2 4791/4885POLB 1704/4885

“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.