SCHEMBL1436168

SCHEMBL1436168

CC(=O)Nc1cccc(C(=N)N)c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ F10 P00742 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ RAB9A P51151 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SMYD3 Q9H7B4 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ NR4A1 P22736 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
Hydrochloric Acid SCHEMBL3576551 0.98 ALDH1A1 (0.57) ALDH1A1F10CYP1A2HSD17B10RAB9A
SCHEMBL29761319 0.86 PARP1 (0.63) ALDH1A1CYP1A2HSD17B10RAB9ATP53
SCHEMBL895009 0.86 PARP1 (0.63) ALDH1A1CYP1A2HSD17B10RAB9ATP53
Amicarbalide SCHEMBL1818799 0.86 PLAU (0.65) ALDH1A1F10RAB9ANPC1LMNA
SCHEMBL7865712 0.86 NOS1 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL12348392 0.85 MEN1 (0.59) ALDH1A1F10HSD17B10RAB9ATP53
SCHEMBL4226386 0.84 PLAU (0.55) ALDH1A1F10MEN1KMT2A
SCHEMBL474709 0.83 KMT2A (0.70) ALDH1A1CYP1A2HSD17B10RAB9ATP53
SCHEMBL12049694 0.83 PLAU (0.55) ALDH1A1F10RAB9ANPC1MEN1
SCHEMBL6808012 0.83 NPC1 (0.71) ALDH1A1F10RAB9ANPC1MAPT

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
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 — — EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 — — US disclosed
CN-1713907-B N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE 2010-05-26 — — CN disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 — — US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 — — US disclosed
CN-1713907-A N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE (CH) 2005-12-28 — — CN disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 — — US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 — — US disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 — — EP disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 — — US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 — — WO disclosed
US-4259482-A NON-SPECIFIC DEPRESSION OF CENTRAL NERVOUS SYSTEM MEAD JOHNSON & COMPANY (US) 1981-03-31 — — US disclosed
US-4206142-A REACTING A STYRYLSULFONYLAMIDINE WITH A BASE MEAD JOHNSON & COMPANY (US) 1980-06-03 — — US disclosed
US-4130663-A ANTITHROMBOGENIC, ANTIHYPERTENSIVE MEAD JOHNSON & COMPANY (US) 1978-12-19 — — US disclosed
US-4096183-A Styrylsulfonylamidines MEAD JOHNSON & COMPANY (US) 1978-06-20 — — US disclosed
US-4052455-A ANALGESICS, BLOOD PLATELET AGGREGATION INHIBITORS MEAD JOHNSON & COMPANY (US) 1977-10-04 — — 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 (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-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 ALDH1A1 233/4885F10 1168/4885CYP1A2 555/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 ALDH1A1 133/4885F10 1829/4885CYP1A2 655/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 ALDH1A1 233/4885F10 1168/4885CYP1A2 555/4885

“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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