Sugi Predict

Sugi Predict / Compounds / SCHEMBL1026069

SCHEMBL1026069

SCHEMBL1026069

CCc1ccc(C#N)cc1N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.39
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ EGLN2 Q96KS0 1/20 0.38
▸ PGR P06401 2/20 0.38
▸ ABCC9 O60706 1/20 0.38
▸ ABCC8 Q09428 1/20 0.38
▸ KCNJ11 Q14654 1/20 0.38
▸ KCNJ8 Q15842 1/20 0.38
▸ AR P10275 1/20 0.37

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
SCHEMBL19175665 0.86 HRH4 (0.46) CYP2A6ALDH1A1POLBMAPTSLC6A2
SCHEMBL398911 0.86 ALDH1A1 (0.56) CYP2A6ALDH1A1POLBMAPTSLC6A2
SCHEMBL19175675 0.83 TSHR (0.42) CYP2A6ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL13824727 0.83 CYP2A6 (0.52) CYP2A6ALDH1A1SLC6A4SLC6A3TRPV4
SCHEMBL1375736 0.82 KDM4E (0.42) CYP2A6ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL248841 0.81 SLC6A4 (0.61) ALDH1A1POLBMAPTSLC6A2SLC6A4
SCHEMBL7898466 0.80 CYP2A6 (0.45) CYP2A6ALDH1A1POLBMAPTTRPV4
SCHEMBL29155384 0.80 KDM4E (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL10824278 0.79 CYP2A6 (0.48) CYP2A6ALDH1A1TRPV4LOXL2EGLN2
SCHEMBL2153701 0.79 CYP2A6 (0.48) CYP2A6ALDH1A1SLC6A4SLC6A3TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-12-05 — — US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 — — US disclosed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 — — US disclosed
US-20210130317-A1 Compounds Useful as Inhibitors of Isoprenylcysteine Carboxyl Methyltransferase AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-06 — — US disclosed
WO-2019043417-A1 CYTOTOXIC AGENTS FEMTOGENIX LIMITED (GB) 2019-03-07 — — WO disclosed
WO-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 — — WO disclosed
WO-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 — — WO disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 — — US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 — — EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 — — US disclosed
WO-2012022265-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2012-02-23 — — WO disclosed
CN-102056894-A Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORP 2011-05-11 — — CN disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 — — US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 — — EP disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 — — CN disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 — — CN 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 (6 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-20210130317-A1 Compounds Useful as Inhibitors of Isoprenylcysteine Carboxyl Methyltransferase ICMT, INMT, BHMT CYP2A6 1209/4885ALDH1A1 592/4885POLB 1068/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 CYP2A6 3968/4885ALDH1A1 180/4885POLB 4635/4885
US-11834430-B2 Compounds useful as inhibitors of isoprenylcysteine carboxyl methyltransferase ICMT, INMT, BHMT CYP2A6 1209/4885ALDH1A1 592/4885POLB 1068/4885
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT CYP2A6 3308/4885ALDH1A1 1943/4885POLB 1482/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 CYP2A6 838/4885ALDH1A1 600/4885POLB 1266/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT CYP2A6 3308/4885ALDH1A1 1943/4885POLB 1482/4885

“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.