SCHEMBL582871

SCHEMBL582871

CCCNC(=O)c1ccc(Br)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
DGAT1 O75907 1/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
PPARD Q03181 1/20 0.50
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
HPGD P15428 2/20 0.47

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
SCHEMBL582402 0.91 TMEM97 (0.61) TMEM97SIGMAR1L3MBTL1DGAT1ALDH1A1
SCHEMBL26838419 0.90 TMEM97 (0.59) TMEM97SIGMAR1L3MBTL1DGAT1ALDH1A1
SCHEMBL21351181 0.88 L3MBTL1 (0.56) TMEM97SIGMAR1L3MBTL1ALDH1A1NPC1
SCHEMBL3346723 0.87 DGAT1 (0.54) TMEM97SIGMAR1DGAT1ALDH1A1NPC1
SCHEMBL2921979 0.86 TMEM97 (0.56) TMEM97SIGMAR1L3MBTL1DGAT1ALDH1A1
SCHEMBL4510569 0.86 TMEM97 (0.58) TMEM97SIGMAR1DGAT1ALDH1A1NPC1
SCHEMBL24100547 0.85 HPGD (0.66) TMEM97SIGMAR1L3MBTL1DGAT1ALDH1A1
SCHEMBL13753140 0.84 L3MBTL1 (0.54) L3MBTL1ALDH1A1NPC1RAB9APOLB
SCHEMBL2926409 0.84 CYP1A2 (0.67) TMEM97SIGMAR1DGAT1ALDH1A1NPC1
SCHEMBL12121132 0.83 POLB (0.53) L3MBTL1ALDH1A1NPC1RAB9ASMN1; 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 4281/4885L3MBTL1 3362/4885
US-20130079372-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds AR, NAT1, NCOA1 TMEM97 935/4885SIGMAR1 530/4885L3MBTL1 2735/4885
US-20150031726-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds AR, NAT1, NCOA1 TMEM97 935/4885SIGMAR1 530/4885L3MBTL1 2735/4885

“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.