SCHEMBL6195248

SCHEMBL6195248

O=C(NCc1ccc(Cl)cc1)c1cnc2c([N+](=O)[O-])cccc2c1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ EGLN1 Q9GZT9 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ATG4B Q9Y4P1 1/20 0.47
▸ POLA1 P09884 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6198755 0.85 POLA1 (0.57) HPGDCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL6198610 0.85 EGLN1 (0.56) HPGDCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL6202038 0.83 EGLN1 (0.54) HPGDCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL6200839 0.83 EGLN1 (0.54) HPGDCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL6198193 0.83 EGLN1 (0.54) HPGDCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL6202284 0.83 EGLN1 (0.54) HPGDCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL6219084 0.83 EGLN1 (0.54) HPGDCYP1A2CYP2C19SMN1; SMN2NPC1
SCHEMBL6198854 0.83 EGLN1 (0.54) HPGDCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL19220854 0.82 CYP1A2 (0.53) HPGDCYP1A2CYP3A4SMN1; SMN2NPC1
SCHEMBL6198531 0.81 EGLN1 (0.52) HPGDCYP1A2CYP3A4CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 — — EP claimed
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 — — US claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 — — WO claimed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 — — EP claimed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 — — US claimed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 — — WO claimed
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 — — EP disclosed
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 — — US disclosed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 — — WO disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 — — EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 — — US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 — — 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-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 HPGD 383/4885CYP1A2 3335/4885CYP3A4 4514/4885

“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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