SCHEMBL354602

SCHEMBL354602

O=C(Nc1ncc(F)s1)n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 10/20 0.42
▸ CCR2 P41597 1/20 0.39
▸ AHR P35869 1/20 0.38
▸ GCK P35557 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL595893 0.83 SMN1; SMN2 (0.52) FFAR2AHRSMN1; SMN2KMT2A
SCHEMBL31416107 0.78 SCD (0.46) SMN1; SMN2KMT2A
SCHEMBL595719 0.75 MEN1 (0.47) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9998918 0.72 HPGDS (0.41) SMN1; SMN2KMT2A
SCHEMBL12469108 0.71 FFAR2 (0.50) FFAR2CCR2AHRSMN1; SMN2KMT2A
SCHEMBL31593989 0.71 AQP4 (0.46) FFAR2SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL595448 0.70 PDPK1 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL16209464 0.70 DYRK1A (0.60) SMN1; SMN2KMT2A
SCHEMBL15834798 0.70 RAB9A (0.56) SMN1; SMN2KMT2A
SCHEMBL22952268 0.70 RAB9A (0.47) SMN1; SMN2KMT2A

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 — — EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 — — US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 — — US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 — — EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 — — 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA FFAR2 3007/4885CCR2 3891/4885AHR 2036/4885

“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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