SCHEMBL4156883

SCHEMBL4156883

CCCCOc1ccc(N)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP2D6 P10635 6/20 0.47
CYP3A4 P08684 5/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LTA4H P09960 2/20 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
SCHEMBL31538780 0.94 NR5A1 (0.53) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL1920453 0.92 RAB9A (0.54) RAB9ANPC1KDM4EMAPTKMT2A
SCHEMBL23634063 0.87 NCF1 (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10279192 0.85 NOS3 (0.41) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL360929 0.83 TDP1 (0.56) RAB9ANPC1KDM4ECYP3A4MAPT
SCHEMBL2234368 0.83 KDM4E (0.53) KDM4E
SCHEMBL3333555 0.82 NOS3 (0.42)
SCHEMBL20037445 0.82 XDH (0.42) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL18291213 0.82 KDM4E (0.56) KDM4ECYP2D6CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL23634060 0.82 NCF1 (0.56) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022128848-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-23 WO disclosed
WO-2017066366-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 WO disclosed
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
US-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
CN-101300236-A Triazole compounds as lipoxygenase inhibitors BIOLIPOX AB (SE) 2008-11-05 CN disclosed
EP-1943241-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-16 EP disclosed
EP-1943234-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2008-07-16 EP disclosed
WO-2007051981-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-05-10 WO disclosed
WO-2007051982-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2007-05-10 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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B RAB9A 3588/4885NPC1 2790/4885KDM4E 4066/4885
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 RAB9A 4042/4885NPC1 2061/4885KDM4E 3030/4885

“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.