SCHEMBL7662910

SCHEMBL7662910

O=C(O)c1cccc(Br)c1Nc1c(Nc2ccccc2C(F)(F)F)c(=O)c1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
FABP4 P15090 2/20 0.49
CXCR2 P25025 3/20 0.48
CLCN2 P51788 2/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
PTGS2 P35354 2/20 0.44
CXCR1 P25024 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
DHODH Q02127 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7571715 0.85 TAS2R14 (0.56) TAS2R14FABP4CXCR2CLCN2AKR1C3
SCHEMBL1358523 0.75 TAS2R14 (0.75) TAS2R14FABP4CLCN2AKR1C3AKR1C2
SCHEMBL7571639 0.72 CXCR2 (0.49) CXCR2MEN1ALDH1A1KMT2A
SCHEMBL8558161 0.71 TAS2R14 (0.60) TAS2R14FABP4CXCR2CLCN2AKR1C3
SCHEMBL11542345 0.71 CXCR2 (0.53) FABP4CXCR2MEN1ALDH1A1KMT2A
SCHEMBL7568734 0.70 CLCN2 (0.53) TAS2R14FABP4CXCR2CLCN2AKR1C3
SCHEMBL11178354 0.70 TAS2R14 (0.55) TAS2R14FABP4CXCR2CLCN2MEN1
SCHEMBL7586739 0.70 CXCR2 (0.47) TAS2R14FABP4CXCR2AKR1C3AKR1C2
SCHEMBL15925029 0.69 RXFP1 (0.57) TAS2R14SMN1; SMN2FABP4CLCN2MEN1
SCHEMBL11347362 0.68 TAS2R14 (0.72) TAS2R14FABP4CLCN2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413996-B2 CHLORIDE CHANNEL BLOCKERS; FOR TREATMENT OF SICKLE CELL ANAEMIA, BRAIN OEDEMA FOLLOWING ISCHAEMIA OR TUMOURS, DIARRHOEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, BONE METASTASIZING CANCERS NEUROSEARCH A/S (DK) 2002-07-02 US disclosed
US-20010056092-A1 Diaminocyclobutene-3,4-dione derivatives, their preparation and use ANIONA APS (DK) 2001-12-27 US disclosed
EP-1117633-A1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2001-07-25 EP disclosed
WO-2000020378-A1 DIAMINOCYCLOBUTENE-3,4-DIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-04-13 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-20010056092-A1 Diaminocyclobutene-3,4-dione derivatives, their preparation and use HCN4, CLIC1, KCNB1 TAS2R14 2116/4885SMN1; SMN2 3899/4885FABP4 4692/4885

“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.