SCHEMBL6908303

SCHEMBL6908303

Cc1ccc2[nH]c(=O)nc(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
NPC1 O15118 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ACHE P22303 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 5/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 9/20 0.47
HPGD P15428 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
CHEK1 O14757 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL1621866 0.82 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2AACHE
SCHEMBL10740429 0.82 MEN1 (0.59) NPC1MEN1KMT2AHSD17B10KDM4E
SCHEMBL10746430 0.82 KEAP1 (0.56) ALDH1A1ACHEHTTKDM4EHPGD
SCHEMBL7408462 0.80 ALDH1A1 (0.58) ALDH1A1NPC1MEN1KMT2AACHE
SCHEMBL10746162 0.80 KDM4E (0.59) ALDH1A1MEN1KMT2APOLBHSD17B10
SCHEMBL10741878 0.80 PDE3B (0.59) ALDH1A1NPC1HSD17B10KDM4EGAA
SCHEMBL27939184 0.78 KDM4E (0.55) ALDH1A1NPC1MEN1KMT2AACHE
SCHEMBL6508875 0.77 CA12 (0.55) ALDH1A1NPC1MEN1KMT2APOLB
SCHEMBL11604874 0.77 KDM4E (0.69) ALDH1A1NPC1MEN1KMT2APOLB
SCHEMBL530191 0.77 ALDH1A1 (0.58) ALDH1A1NPC1MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 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 (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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 ALDH1A1 313/4885NPC1 1164/4885MEN1 1077/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 ALDH1A1 2041/4885NPC1 144/4885MEN1 556/4885

“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.