Sugi Predict

Sugi Predict / Compounds / SCHEMBL92380

SCHEMBL92380

SCHEMBL92380

Cln1cc(-c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ KDR P35968 3/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ GRK5 P34947 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38

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
SCHEMBL28816219 0.74 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMKDREPHB4
SCHEMBL23845574 0.74 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMKDREPHB4
SCHEMBL244970 0.74 KDR (0.56) L3MBTL1KDREPHB4ACVR1DYRK1A
SCHEMBL27684583 0.74 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMKDREPHB4
SCHEMBL3753666 0.74 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMKDREPHB4
Ammonia Solution, Strong SCHEMBL18398465 0.73 KDR (0.55) L3MBTL1KDREPHB4ACVR1DYRK1A
SCHEMBL20774126 0.73 KDR (0.55) L3MBTL1KDREPHB4ACVR1DYRK1A
SCHEMBL515503 0.73 GAA (0.59) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL17736002 0.71 GAA (0.57) L3MBTL1NPC1RAB9ANFKB1NFKB2
SCHEMBL18487593 0.70 L3MBTL1 (0.65) L3MBTL1ALDH1A1KDREPHB4ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 — — US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 — — US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 — — WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 — — US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 — — 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 (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-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 L3MBTL1 4330/4885ALDH1A1 969/4885ATM 4742/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 L3MBTL1 4379/4885ALDH1A1 784/4885ATM 4748/4885

“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.