SCHEMBL6771264

SCHEMBL6771264

CCOC(=O)c1ccc(-c2ccc(C#N)c(N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
PDK2 Q15119 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HTT P42858 1/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL6440297 0.89 CYP1A2 (0.53) CYP1A2LMNACYP3A4MAOAKDM4E
SCHEMBL4180274 0.89 LMNA (0.54) CYP1A2LMNACYP3A4MAOAKDM4E
SCHEMBL6053686 0.85 CA12 (0.51) CYP1A2LMNACYP3A4MAOAKDM4E
SCHEMBL17594423 0.80 LMNA (0.54) CYP1A2LMNACYP3A4MAOAKDM4E
SCHEMBL6777079 0.78 HPGD (0.54) LMNAHSD17B10ALDH1A1HPGDHSP90AA1
SCHEMBL2997892 0.78 CA12 (0.56) CYP1A2LMNACYP3A4MAOAKDM4E
SCHEMBL6775695 0.78 MYC (0.55) CA1CA2CA12CA9CA14
SCHEMBL24690306 0.77 CYP1A2 (0.55) CYP1A2LMNACYP3A4MAOAKDM4E
SCHEMBL30746079 0.77 CYP1A2 (0.55) CYP1A2LMNACYP3A4MAOAKDM4E
SCHEMBL1965326 0.77 CA1 (0.73) CYP1A2LMNACYP3A4MAOAKDM4E

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 CYP1A2 458/4885LMNA 1157/4885CYP3A4 332/4885

“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.