Sugi Predict

Sugi Predict / Compounds / SCHEMBL8047324

SCHEMBL8047324

SCHEMBL8047324

Cc1cccc(C(=O)c2cncn2CP)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ ELANE P08246 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1482948 0.73 KMT2A (0.37) KMT2AMEN1ELANEESR1ESR2
SCHEMBL29515031 0.70 KMT2A (0.52) KMT2AMEN1ESR1ESR2NPC1
SCHEMBL310386 0.70 KMT2A (0.52) KMT2AMEN1ESR1ESR2NPC1
Benzene SCHEMBL27738764 0.68 KMT2A (0.55) KMT2AMEN1ESR1ESR2NPC1
SCHEMBL11811779 0.68 ATM (0.50) KMT2ARAB9APOLBLMNAGAA
SCHEMBL21294033 0.68 CYP11B1 (0.43) P2RX7LMNA
SCHEMBL31181856 0.68 CYP11B1 (0.43) P2RX7LMNA
SCHEMBL8052945 0.68 GAA (0.38) KMT2AMEN1KDM4CP2RX7GAA
SCHEMBL28220488 0.67 KMT2A (0.51) KMT2AKDM4CNPC1RAB9ACTNNB1
SCHEMBL256812 0.66 SMN1; SMN2 (0.51) KMT2AMEN1ESR1ESR2NPC1

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-8735438-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2014-05-27 — — US disclosed
US-20110077274-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2011-03-31 — — US disclosed
US-7902247-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2011-03-08 — — US disclosed
US-20090176843-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. 2009-07-09 — — 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 (2 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-20110077274-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB3, ADRB2 KMT2A 2604/4885MEN1 3016/4885KDM4C 1216/4885
US-20090176843-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB3, ADRB2 KMT2A 2593/4885MEN1 3018/4885KDM4C 1224/4885

“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.