SCHEMBL6777111

SCHEMBL6777111

Nc1cc(-c2ccsc2)ccc1-c1nnn[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
BACE1 P56817 1/20 0.40
CHEK1 O14757 2/20 0.40
PTPRC P08575 1/20 0.38
CYP2A6 P11509 3/20 0.36
CHEK2 O96017 5/20 0.34
TDO2 P48775 1/20 0.34
EPHX2 P34913 1/20 0.33
IMPDH2 P12268 1/20 0.33
HDAC1 Q13547 1/20 0.33
PDK2 Q15119 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ERN1 O75460 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2B6 P20813 1/20 0.33
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL21856971 0.80 KDM4E (0.42) BACE1
SCHEMBL3324502 0.77 CYP2A6 (0.39) KCNH2CYP2A6TDO2CYP2E1CYP2B6
SCHEMBL6775919 0.76 DHFR (0.42)
SCHEMBL6781482 0.75 CHEK1 (0.40) CHEK1HDAC1ERN1HRH1HRH4
SCHEMBL6777326 0.75 KIF11 (0.44)
SCHEMBL6775760 0.74 MEN1 (0.45) CHEK1CYP2A6
SCHEMBL6771385 0.74 MKNK1 (0.44) CHEK2PDK2ERN1
SCHEMBL1308358 0.71 IDO1 (0.41)
SCHEMBL1306933 0.71 SMN1; SMN2 (0.41)
SCHEMBL6781654 0.70 MCL1 (0.37) ACMSD

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 KCNH2 2/4885BACE1 3333/4885CHEK1 4786/4885

“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.