SCHEMBL13437643

SCHEMBL13437643

CCc1[nH]c2ccccc2c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GPR3 P46089 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
AHR P35869 2/20 0.41
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HTR2A P28223 2/20 0.38

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
SCHEMBL6882102 0.79 HTT (0.55) KIF11ALDH1A1GPR3HSD17B10HTT
SCHEMBL1917841 0.78 AHR (0.57) KIF11ALDH1A1GPR3HSD17B10HTT
Water SCHEMBL11540986 0.78 HTT (0.53) KIF11ALDH1A1GPR3HSD17B10HTT
SCHEMBL5421204 0.77 MEN1 (0.47) ALDH1A1GPR3HSD17B10AHRCYP1A2
SCHEMBL18015851 0.76 KIF11 (0.46) KIF11ALDH1A1GPR3HSD17B10HTT
SCHEMBL11382073 0.76 KIF11 (0.46) KIF11ALDH1A1GPR3HSD17B10HTT
SCHEMBL6479175 0.76 KIF11 (0.46) KIF11ALDH1A1GPR3HSD17B10HTT
SCHEMBL16973815 0.76 ALDH1A1 (0.46) KIF11ALDH1A1GPR3HSD17B10HTT
SCHEMBL9012812 0.76 KDM4E (0.51) KIF11ALDH1A1GPR3HSD17B10HTT
SCHEMBL10644926 0.76 KIF11 (0.46) KIF11ALDH1A1GPR3HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
EP-2746285-A1 Process for the preparation of aurora kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-25 EP disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 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 (2 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 KIF11 2819/4885ALDH1A1 4162/4885GPR3 3937/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 KIF11 2819/4885ALDH1A1 4162/4885GPR3 3937/4885

“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.