SCHEMBL19926124

SCHEMBL19926124

Nc1[nH]nc(-c2ccccc2)c1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ADORA1 P30542 4/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RPS6KA5 O75582 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ PRKACA P17612 1/20 0.40

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
SCHEMBL19941724 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL30737561 0.85 SIRT1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2ADORA1
SCHEMBL25213370 0.78 MAPK11 (0.41) CDK1CDK2
SCHEMBL30737651 0.76 MAPK11 (0.43) GAAALPLMAPT
SCHEMBL21711325 0.76 PTGS1 (0.49) ALDH1A1SMN1; SMN2ALPLIDO1MAPT
SCHEMBL1459483 0.74 CDC7 (0.39) ALDH1A1KDM4EGAAHPGDNPC1
SCHEMBL28152086 0.72 DHFR (0.47) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL19941723 0.71 PDE5A (0.36) ALDH1A1LMNAPOLB
SCHEMBL19941737 0.71 PDE5A (0.36) ALDH1A1LMNAPOLB
SCHEMBL14114476 0.70 MAPK14 (0.37) ALDH1A1KDM4ESMN1; SMN2ADORA1ADORA3

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-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 — — US disclosed
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 — — CN disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 — — US disclosed
US-11325914-B1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2022-05-10 — — US disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 — — US disclosed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 — — US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 — — US disclosed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 — — US disclosed
EP-3507290-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES Agios Pharmaceuticals, Inc. (US) 2019-07-10 — — EP disclosed
US-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 — — US disclosed
US-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 — — US disclosed
CN-109890822-A INHIBITORS OF CELLULAR METABOLIC PROCESSES 安吉奥斯医药品有限公司 2019-06-14 — — CN disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 — — US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 — — US disclosed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 — — US disclosed
WO-2018045071-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES AGIOS PHARMACEUTICALS, INC. (US) 2018-03-08 — — 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 (5 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-10329298-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 ALDH1A1 352/4885KDM4E 1507/4885GAA 968/4885
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 ALDH1A1 352/4885KDM4E 1507/4885GAA 968/4885
US-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 ALDH1A1 352/4885KDM4E 1507/4885GAA 968/4885
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 ALDH1A1 352/4885KDM4E 1507/4885GAA 968/4885
US-11325914-B1 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 ALDH1A1 352/4885KDM4E 1507/4885GAA 968/4885

“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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