SCHEMBL4780370

SCHEMBL4780370

O=C(O)c1ccc(-c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 10/20 0.68
MAP4K4 O95819 1/20 0.55
AHR P35869 1/20 0.48
PPP1CA P62136 2/20 0.48
P4HA1 P13674 1/20 0.47
MIF P14174 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGS2 P35354 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
TSHR P16473 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
SCHEMBL4777034 0.85 KMO (0.61) KMOMAP4K4HSD17B1HSD17B2KDM4E
SCHEMBL4780344 0.85 KMO (0.61) KMOMAP4K4P4HA1MIFP4HTM
SCHEMBL13731115 0.83 P4HTM (0.64) MAP4K4P4HA1MIFP4HTMKDM4E
SCHEMBL11049832 0.81 NOTUM (0.59) KMOKDM4E
SCHEMBL3355376 0.81 KMO (1.00) KMOAHRPPP1CAKDM4EALDH1A1
SCHEMBL4725410 0.80 MAP4K4 (0.68) KMOMAP4K4P4HA1MIFP4HTM
SCHEMBL21552113 0.80 EGLN1 (0.58) KMOMAP4K4PPP1CAP4HTMPTGS2
SCHEMBL14742178 0.80 KMO (0.59) KMOMAP4K4PPP1CA
Hydrochloric Acid SCHEMBL1939238 0.79 KMO (0.97) KMOAHRPPP1CAKDM4EALDH1A1
SCHEMBL11044929 0.79 MAP4K4 (0.55) KMOMAP4K4P4HA1MIFP4HTM

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
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US claimed
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US disclosed
WO-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 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-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R KMO 360/4885MAP4K4 944/4885AHR 663/4885

“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.