SCHEMBL4320783

SCHEMBL4320783

COc1ccc(C(=O)n2ccc(N)nc2=O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KLK7 P49862 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ KLK5 Q9Y337 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ F12 P00748 3/20 0.48
▸ F2 P00734 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL12882199 0.79 HSD17B10 (0.46) KMT2AHSD17B10NPC1RAB9AKDM4E
SCHEMBL16757104 0.75 HPGD (0.40) KMT2ANPC1RAB9AF12F2
SCHEMBL7635955 0.74 PLAU (0.45) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL27684258 0.73 NPC1 (0.48) KMT2AHSD17B10NPC1RAB9AKDM4E
SCHEMBL27819780 0.71 PARP1 (0.43) MAPTTHRB
SCHEMBL16756835 0.70 TSHR (0.45) KMT2AMAPK1MAPTF12TSHR
Methane SCHEMBL27916787 0.69 NOTUM (0.42) HSD17B10MAPK1MAPTCYP1A2CYP2C19
SCHEMBL335681 0.68 MAPK1 (0.77) MAPK1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL29415167 0.68 MAPK1 (0.77) MAPK1MAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL27740855 0.67 NOTUM (0.41) HSD17B10MAPK1MAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595390-B2 Industrially scalable nucleoside synthesis NOVARTIS AG (CH) 2009-09-29 — — US disclosed
EP-1620451-A4 INDUSTRIALLY SCALABLE NUCLEOSIDE SYNTHESIS NOVARTIS AG (CH) 2009-02-18 — — EP disclosed
EP-1620451-A2 INDUSTRIALLY SCALABLE NUCLEOSIDE SYNTHESIS Idenix (Cayman) Limited (KY) 2006-02-01 — — EP disclosed
US-20050004357-A1 Industrially scalable nucleoside synthesis NOVARTIS AG (CH) 2005-01-06 — — US disclosed
WO-2004096149-A2 INDUSTRIALLY SCALABLE NUCLEOSIDE SYNTHESIS IDENIX (CAYMAN) LIMITED (KY) 2004-11-11 — — 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 (1 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-20050004357-A1 Industrially scalable nucleoside synthesis ADA, DCTD, PNP KMT2A 3613/4885HSD17B10 2134/4885NPC1 1115/4885

“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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