SCHEMBL3836704

SCHEMBL3836704

C=C(c1ccc(O)c(O)c1)c1ccc2cccc(O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ PIM1 P11309 1/20 0.50
▸ HSD17B14 Q9BPX1 1/20 0.44
▸ METAP2 P50579 2/20 0.44
▸ PLAU P00749 1/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ ALOX12 P18054 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SOS2 Q07890 1/20 0.41
▸ PDE4D Q08499 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MMP2 P08253 1/20 0.39

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
SCHEMBL6064587 0.92 HSD17B14 (0.45) KMT2AKDM4EPIM1HSD17B14METAP2
SCHEMBL3825336 0.86 KDM4E (0.53) KMT2AKDM4EPIM1HSD17B14METAP2
SCHEMBL3860500 0.80 HSD17B14 (0.52) KDM4EHSD17B14ALDH1A1TSHRHDAC8
SCHEMBL7243815 0.76 PIM1 (0.57) KDM4EPIM1ALDH1A1L3MBTL1MAPT
SCHEMBL6430262 0.72 KDM4E (0.50) KMT2AKDM4EPIM1METAP2PLAU
SCHEMBL28153888 0.71 KMT2A (0.47) KMT2AKDM4EPIM1METAP2PLAU
SCHEMBL6434016 0.71 KDM4E (0.49) KMT2AKDM4EPIM1METAP2PLAU
SCHEMBL5468569 0.70 CA12 (0.54) KDM4EHSD17B10PDE4DHTTL3MBTL1
SCHEMBL7245263 0.70 PTPN1 (0.44) KMT2AKDM4EHSD17B14ALDH1A1HPGD
SCHEMBL1507703 0.70 KDM4E (0.76) KMT2AKDM4EPIM1METAP2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975597-B1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NAT RECH SCIENT (FR) 2009-09-02 — — EP claimed
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 — — US claimed
US-6670377-B1 Inhibitory properties of human immunodeficiency virus integrase CENTRE NATIONAL DE LA RECHERCHE (FR) 2003-12-30 — — US claimed
EP-0975597-B1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NAT RECH SCIENT (FR) 2009-09-02 — — EP disclosed
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 — — US disclosed
US-6670377-B1 Inhibitory properties of human immunodeficiency virus integrase CENTRE NATIONAL DE LA RECHERCHE (FR) 2003-12-30 — — US disclosed
EP-0975597-A1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-02-02 — — EP disclosed
WO-1998045269-A1 QUINOLINE DERIVATIVES, HAVING IN PARTICULAR ANTIVIRAL PROPERTIES, PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1998-10-15 — — 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-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CTSL, CDKL1, QTRT2 KMT2A 1290/4885KDM4E 2169/4885PIM1 1303/4885

“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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