SCHEMBL13312903

SCHEMBL13312903

CC(C)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.49
▸ RAB9A P51151 6/20 0.46
▸ GAA P10253 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ XPO1 O14980 1/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ ITGB1 P05556 1/20 0.41

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
SCHEMBL26798707 0.83 HCAR3 (0.50) HCAR3RAB9AGAAALDH1A1LMNA
SCHEMBL25024544 0.83 HCAR3 (0.55) HCAR3RAB9AGAAPOLBALDH1A1
SCHEMBL26547631 0.80 HCAR3 (0.51) HCAR3RAB9AGAAPOLBALDH1A1
SCHEMBL30826962 0.79 RAB9A (0.49) HCAR3RAB9AGAAPOLBALDH1A1
SCHEMBL116298 0.79 RAB9A (0.49) HCAR3RAB9AGAAPOLBALDH1A1
SCHEMBL1285863 0.78 RAB9A (0.50) HCAR3RAB9AGAAPOLBALDH1A1
SCHEMBL3049728 0.78 RAB9A (0.50) HCAR3RAB9AGAAPOLBALDH1A1
SCHEMBL29882565 0.78 RAB9A (0.50) HCAR3RAB9AGAAPOLBALDH1A1
SCHEMBL8989471 0.78 RAB9A (0.51) RAB9AGAAPOLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL28538817 0.77 RAB9A (0.48) HCAR3RAB9AGAAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 — — WO disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 — — US disclosed
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 — — US disclosed
WO-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 — — WO disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 — — WO disclosed
WO-2021042046-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2021-03-04 — — WO disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 — — US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 — — US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 — — US disclosed
CN-105164124-A Compounds and compositions for treating parasitic diseases NOVARTIS AG 2015-12-16 — — CN disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 — — US disclosed
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 — — US disclosed
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-07-10 — — US disclosed
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-12 — — US disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 — — WO disclosed
US-8546388-B2 Heterocyclic TRPV1 receptor ligands PURDUE PHARMA L.P. (US) 2013-10-01 — — US disclosed
US-8546388-B2 Heterocyclic TRPV1 receptor ligands PURDUE PHARMA L.P. (US) 2013-10-01 — — US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 — — US disclosed
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS PURDUE PHARMA L.P. 2010-06-03 — — US disclosed
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS PURDUE PHARMA L.P. 2010-06-03 — — 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 (8 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 HCAR3 3579/4885RAB9A 2000/4885GAA 747/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 HCAR3 1633/4885RAB9A 2629/4885GAA 3478/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 HCAR3 2269/4885RAB9A 2153/4885GAA 3447/4885
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HCAR3 2347/4885RAB9A 876/4885GAA 184/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 HCAR3 3579/4885RAB9A 2000/4885GAA 747/4885
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS TRPV1, TRPA1, TRPV2 HCAR3 33/4885RAB9A 1368/4885GAA 3618/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 HCAR3 1621/4885RAB9A 2355/4885GAA 3607/4885
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM HCAR3 4118/4885RAB9A 1259/4885GAA 4087/4885

“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.

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