SCHEMBL6581850

SCHEMBL6581850

CCc1ccc(C)c(NC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 3/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
MAOA P21397 1/20 0.43
ADRB2 P07550 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL7903540 0.86 ESR1 (0.52) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3072732 0.86 ALDH1A1 (0.52) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL21902832 0.84 NPC1 (0.52) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13190946 0.84 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3406984 0.83 POLB (0.48) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2927023 0.82 KMT2A (0.46) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13754306 0.82 POLB (0.54) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL14662750 0.81 MEN1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8225325 0.81 SMN1; SMN2 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL30667032 0.81 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190084988-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2019-03-21 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 EP disclosed
US-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 US disclosed
EP-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 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-20190084988-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 ALDH1A1 3161/4885HPGD 3707/4885NPC1 962/4885

“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.