SCHEMBL6780932

SCHEMBL6780932

N#Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.55
AR P10275 7/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PGR P06401 1/20 0.45
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC2 Q92769 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL2167740 0.86 KIF11 (0.57) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL463600 0.85 AR (0.47) KIF11ARCYP11B1CYP11B2KDM4E
SCHEMBL5070146 0.83 MEN1 (0.48) ARCYP11B1CYP11B2KDM4EMEN1
SCHEMBL3480811 0.81 CYP11B1 (0.68) KIF11ARCYP11B1CYP11B2
SCHEMBL3480548 0.81 KIF11 (0.56) KIF11ARCYP11B1CYP11B2PGR
SCHEMBL12733363 0.80 CYP11B2 (0.54) ARCYP11B1CYP11B2KDM4EMEN1
SCHEMBL24749621 0.79 AR (0.52) AR
SCHEMBL30768289 0.79 AR (0.52) AR
SCHEMBL5318551 0.78 ALDH1A1 (0.52) CYP11B1CYP11B2KDM4EMEN1ALDH1A1
SCHEMBL3903661 0.77 KIF11 (0.61) KIF11CYP11B1CYP11B2MEN1KMT2A

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-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US disclosed
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-6297261-B1 POTENT CHLORIDE CHANNEL BLOCKERS; TREATMENT OF SICKLE CELL ANEMIA, BRAIN EDEMA FOLLOWING ISCHAEMIA OR TUMORS, DIARRHEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, AND FOR THE REDUCTION OF THE INTRAOCULAR PRESSURE NEUROSEARCH A/S (DK) 2001-10-02 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-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 KIF11 2445/4885AR 2580/4885CYP11B1 341/4885

“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.