SCHEMBL582402

SCHEMBL582402

CCCCNC(=O)c1ccc(Br)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
HTT P42858 2/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL582871 0.91 TMEM97 (0.57) TMEM97SIGMAR1HTTTSHRALDH1A1
SCHEMBL26838419 0.88 TMEM97 (0.59) TMEM97SIGMAR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL21210764 0.85 HTT (0.58) HTTTSHRSMN1; SMN2NPC1LMNA
SCHEMBL3346723 0.84 DGAT1 (0.54) TMEM97SIGMAR1TSHRALDH1A1SMN1; SMN2
SCHEMBL2921979 0.84 TMEM97 (0.56) TMEM97SIGMAR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12121122 0.84 HTT (0.57) HTTTSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL360641 0.84 HTT (0.57) HTTTSHRALDH1A1SMN1; SMN2CA12
SCHEMBL4510569 0.83 TMEM97 (0.58) TMEM97SIGMAR1ALDH1A1SMN1; SMN2CA12
SCHEMBL24100547 0.82 HPGD (0.66) TMEM97SIGMAR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2926409 0.81 CYP1A2 (0.67) TMEM97SIGMAR1HTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126962-B2 Substituted phenylcarbamoyl alkylamino arene compounds and N,N′-BIS-arylurea compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-09-08 US disclosed
US-9023869-B2 Substituted phenylcarbamoyl alkylamino arene compounds and N,N'-BIS-arylurea compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-05 US disclosed
US-20150031726-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds MEDIVATION TECHNOLOGIES LLC 2015-01-29 US disclosed
US-8710086-B2 Substituted di-arylhydantoin and di-arylthiohydantoin compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2014-04-29 US disclosed
US-20130079372-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
EP-2485804-A1 SUBSTITUTED PHENYLCARBAMOYL ALKYLAMINO ARENE COMPOUNDS AND N,N'-BIS-ARYLUREA COMPOUNDS Medivation Prostate Therapeutics, Inc. (US) 2012-08-15 EP disclosed
US-20120184580-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2416657-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS FOR USE THEREOF Medivation Prostate Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2011044327-A1 SUBSTITUTED PHENYLCARBAMOYL ALKYLAMINO ARENE COMPOUNDS AND N,N'-BIS-ARYLUREA COMPOUNDS MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2011-04-14 WO disclosed
WO-2010118354-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS FOR USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2010-10-14 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 (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-20120184580-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF AR, BRDT, AADAC TMEM97 4054/4885SIGMAR1 4281/4885HTT 1889/4885
US-20130079372-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds AR, NAT1, NCOA1 TMEM97 935/4885SIGMAR1 530/4885HTT 398/4885
US-20150031726-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds AR, NAT1, NCOA1 TMEM97 935/4885SIGMAR1 530/4885HTT 398/4885

“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.