SCHEMBL6777016

SCHEMBL6777016

CCOC(=O)c1ccc(-c2ccc(-c3nnn[nH]3)c(N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDK2 Q15119 1/20 0.43
KDM4E B2RXH2 2/20 0.41
PARP1 P09874 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 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
SCHEMBL6781647 0.82 HPGD (0.46) LMNAMAPTTSHRSMN1; SMN2GAA
SCHEMBL6771385 0.82 MKNK1 (0.44) PDK2
SCHEMBL3592492 0.79 STK17B (0.43) LMNACYP1A2CYP3A4MAOAMAPT
SCHEMBL21856971 0.75 KDM4E (0.42) LMNACYP1A2CYP3A4MAOAMAPT
SCHEMBL25037376 0.74 ALDH1A1 (0.46) LMNACYP1A2MAPTPOLBRAB9A
SCHEMBL21051831 0.74 ALDH1A1 (0.44) LMNACYP1A2CYP3A4MAOAMAPT
SCHEMBL5639017 0.73 NPC1 (0.49) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL30019463 0.73 SMN1; SMN2 (0.43) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL29151908 0.73 SMN1; SMN2 (0.48) LMNACYP1A2CYP3A4MAOAMAPT
SCHEMBL4025859 0.72 MKNK1 (0.44)

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 LMNA 1157/4885CYP1A2 458/4885CYP3A4 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.