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SCHEMBL841191

SCHEMBL841191

COC(=O)c1c(C(F)(F)F)nn(C)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CYP1A2 P05177 4/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ NPC1 O15118 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CYP2D6 P10635 2/20 0.44
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 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
SCHEMBL24861976 0.83 MEN1 (0.59) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5212164 0.83 CYP1A2 (0.49) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL3062142 0.81 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL8261356 0.81 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL841261 0.81 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4625215 0.81 NPC1 (0.48) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6737822 0.80 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL24769905 0.80 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5282340 0.80 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL28040517 0.79 MEN1 (0.61) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103613583-B 1,3-substituting group-4-substituted pyrazolecarboxylic acylhydrazone and its preparation method and application GUIZHOU UNIVERSITY (CN) 2015-12-02 — — CN disclosed
EP-2183252-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 — — EP disclosed
EP-2183252-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 — — EP disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
CN-102388045-A Compounds for the treatment of hepatitis c BRISTOL MYERS SQUIBB CO 2012-03-21 — — CN disclosed
EP-2396329-A1 Compounds for the treatment of hepatitis c Bristol-Myers Squibb Company (US) 2011-12-21 — — EP disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 — — WO disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 — — WO disclosed
EP-2183252-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-05-12 — — EP disclosed
US-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 — — US disclosed
US-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 — — US disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 — — US disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 — — US disclosed
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 — — US disclosed
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 — — US disclosed
WO-2009029384-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-05 — — WO disclosed
WO-2009029384-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-05 — — WO disclosed
WO-2005070889-A1 HERBICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-08-04 — — 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 (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-20090074715-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4763/4885KMT2A 4456/4885SMN1; SMN2 3925/4885
US-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4763/4885KMT2A 4456/4885SMN1; SMN2 3925/4885

“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.