Sugi Predict

Sugi Predict / Compounds / SCHEMBL3529800

SCHEMBL3529800

SCHEMBL3529800

Cc1cccc([C@H](C)c2nccn2C(=O)OCCSc2ccc(Cl)cc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PPARG P37231 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
SCHEMBL697839 0.87 FPR2 (0.35) MAPTMEN1KMT2AMAPK1PPARG
SCHEMBL703289 0.86 LMNA (0.34) MAPTCYP1A2CYP2D6CYP2C19MEN1
SCHEMBL696991 0.84 L3MBTL1 (0.40) MAPTLMNARAB9AMAPK1L3MBTL1
SCHEMBL697702 0.83 MAPK1 (0.43) MAPTCYP1A2CYP2D6CYP2C19MEN1
SCHEMBL699093 0.82 ALDH1A1 (0.40) MAPTKDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL698373 0.82 LMNA (0.33) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL698041 0.82 CYP19A1 (0.36) MAPTCYP1A2CYP2D6CYP2C19MEN1
SCHEMBL703068 0.82 ALDH1A1 (0.33) SMN1; SMN2MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL697153 0.81 LMNA (0.33) MAPTCYP1A2CYP2D6CYP2C19MEN1
SCHEMBL698638 0.81 BCHE (0.38) MAPTCYP1A2CYP2D6CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 — — US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 — — US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 — — US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 — — US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 — — US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885MAPT 316/4885KDM4E 574/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885MAPT 316/4885KDM4E 574/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885MAPT 316/4885KDM4E 574/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885MAPT 316/4885KDM4E 574/4885

“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.