SCHEMBL6201545

SCHEMBL6201545

O=C(NCc1ccc(Cl)cc1)c1cnc2c(F)cc(S(=O)(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
TUBB P07437 2/20 0.44
MCL1 Q07820 1/20 0.43
TACR1 P25103 1/20 0.43
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 1/20 0.40
CXCR4 P61073 1/20 0.39
CCR1 P32246 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
HPGD P15428 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
SCHEMBL6199057 0.92 TUBB (0.50) TUBBMCL1LMNAMAPTTP53
SCHEMBL6200208 0.88 TUBB (0.46) TUBBMCL1MAPTTP53POLB
SCHEMBL6198579 0.88 TUBB (0.46) TUBBMCL1MAPTTP53POLB
SCHEMBL6197441 0.88 NAMPT (0.49) TUBBMCL1TP53POLBRAB9A
SCHEMBL6199745 0.88 TUBB (0.42) TUBBMCL1LMNAMAPTTP53
SCHEMBL6201548 0.88 P2RX1 (0.48) P2RX1TMPRSS4TUBBMCL1TACR1
SCHEMBL6198839 0.87 CA1 (0.50) TUBBMCL1POLBCXCR4MEN1
SCHEMBL6200126 0.86 TUBB (0.42) TUBBMCL1LMNAMAPTTP53
SCHEMBL6199914 0.86 TUBB (0.44) TUBBMCL1LMNATP53POLB
SCHEMBL6197457 0.86 KDM4E (0.49) TUBBLMNAMAPTTP53CNR2

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-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
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
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US 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 P2RX1 3943/4885TMPRSS4 2817/4885TUBB 1469/4885

“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.