SCHEMBL832391

SCHEMBL832391

Cc1cc(C)c(F)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.60
TSHR P16473 3/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP7 P55210 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TERT O14746 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
CASP1 P29466 1/20 0.40
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
UHRF1 Q96T88 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
S100B P04271 1/20 0.35
CD44 P16070 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
SCHEMBL1548535 0.89 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL966908 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL29502024 0.86 CYP3A4 (0.55) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL405476 0.86 CD44 (0.48) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL28606707 0.83 CYP3A4 (0.60) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL29838774 0.83 ALDH1A1 (0.40) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL1479690 0.83 ALDH1A1 (0.40) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL832549 0.82 KDM1A (0.41) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL9073257 0.81 CYP3A4 (0.50) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL203096 0.79 KDM1A (0.52) CYP3A4TSHRMAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-3162802-B1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME NIHON MEDIPHYSICS CO LTD (JP) 2020-08-19 EP disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
WO-2018089373-A9 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-07-12 WO disclosed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
WO-2018089373-A2 STEROIDS AND PROTEIN-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS AMGEN INC. (US) 2018-02-22 US disclosed
EP-3162802-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME Nihon Medi-Physics Co., Ltd. (JP) 2017-05-03 EP disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
US-7626014-B2 Single-stranded and double-stranded oligonucleotides comprising a 2-arylpropyl moiety ALNYLAM PHARMACEUTICALS (US) 2009-12-01 US disclosed
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed
EP-0288493-B1 3-HALOGEN SUCCINIMIDES DOWELANCO (US) 1991-05-29 EP disclosed
US-4977183-A 3-halosuccinimides and plant fungicidal use thereof THE DOW CHEMICAL COMPANY (US) 1990-12-11 US disclosed
US-4900840-A 3-halosuccinimides THE DOW CHEMICAL COMPANY (US) 1990-02-13 US disclosed
EP-0288493-A1 3-HALOGEN SUCCINIMIDES. DOW CHEMICAL CO (US) 1988-11-02 EP disclosed
WO-1988002747-A1 3-HALOGEN SUCCINIMIDES THE DOW CHEMICAL COMPANY (US) 1988-04-21 WO disclosed
US-4173645-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 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 (7 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 CYP3A4 666/4885TSHR 3796/4885MAPK1 4340/4885
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CYP3A4 3159/4885TSHR 4687/4885MAPK1 1148/4885
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CYP3A4 3159/4885TSHR 4687/4885MAPK1 1148/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CYP3A4 3159/4885TSHR 4687/4885MAPK1 1148/4885
US-20180051021-A1 BICYCLIC KETONE SULFONAMIDE COMPOUNDS TRPV1, TRPA1, KCNJ11 CYP3A4 993/4885TSHR 3998/4885MAPK1 305/4885
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF IDO1, IDO2, TPH1 CYP3A4 90/4885TSHR 3201/4885MAPK1 4217/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CYP3A4 3159/4885TSHR 4687/4885MAPK1 1148/4885

“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.