SCHEMBL6482287

SCHEMBL6482287

CC(=O)c1cc(CO)cc(Cc2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.47
AURKB Q96GD4 2/20 0.47
INCENP Q9NQS7 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
TSHR P16473 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 4/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7079761 0.94 SMN1; SMN2 (0.49) SYKAURKBINCENPSMN1; SMN2TSHR
SCHEMBL6478693 0.79 L3MBTL1 (0.46) SMN1; SMN2CYP1A2ALDH1A1L3MBTL1MAPT
SCHEMBL6480011 0.79 LMNA (0.62) SMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL469430 0.77 APP (0.52) SYKAURKBINCENPSMN1; SMN2TSHR
SCHEMBL7078282 0.76 KMT2A (0.43) SYKAURKBINCENPSMN1; SMN2TSHR
SCHEMBL12253687 0.76 CA5A (0.48) L3MBTL1MAPT
SCHEMBL6948039 0.74 LMNA (0.53) SYK
SCHEMBL7493797 0.73 L3MBTL1 (0.46) SMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL25999808 0.72 CA5A (0.48) L3MBTL1MAPT
SCHEMBL18906030 0.72 FOLH1 (0.51) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors ZHUANG LINGHANG (US) 2005-01-13 US disclosed
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US disclosed
EP-1333831-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-08-13 EP disclosed
WO-2002036734-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-05-10 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 (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-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors POLI, CYP51A1, DUT SYK 3979/4885AURKB 735/4885INCENP 96/4885
US-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 SYK 4022/4885AURKB 1533/4885INCENP 2134/4885

“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.