Sugi Predict

Sugi Predict / Compounds / SCHEMBL2808151

SCHEMBL2808151

SCHEMBL2808151

NC(Cc1ccc(-c2ccccc2)cc1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.46
▸ CTSA P10619 6/20 0.45
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ PTPRB P23467 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ SRR Q9GZT4 2/20 0.38
▸ PSAT1 Q9Y617 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSPA1A P0DMV8 1/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ HSPA9 P38646 1/20 0.38
▸ HSPA2 P54652 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL4379883 0.91 EPHX1 (0.44) PDPK1CTSAPTPRBTAAR1HSPA1A
SCHEMBL6685124 0.91 EPHX1 (0.44) PDPK1CTSAPTPRBTAAR1HSPA1A
SCHEMBL8143963 0.91 EPHX1 (0.44) PDPK1CTSAPTPRBTAAR1HSPA1A
Hydrochloric Acid SCHEMBL22691669 0.89 EPHX1 (0.42) PDPK1CTSAPTPRBTAAR1GAA
Hydrochloric Acid SCHEMBL22691671 0.89 EPHX1 (0.42) PDPK1CTSAPTPRBTAAR1GAA
SCHEMBL19257973 0.83 RAD52 (0.46) LOXL2PTPRBCYP19A1SMN1; SMN2KDM4E
SCHEMBL792960 0.82 LTA4H (0.53) CTSAGAASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL20586638 0.81 RAD52 (0.45) LOXL2PTPRBCYP19A1SMN1; SMN2KDM4E
SCHEMBL20177203 0.81 KDM4E (0.40) CTSALOXL2PTPRBGAASMN1; SMN2
Hydrochloric Acid SCHEMBL19209193 0.81 RAD52 (0.45) LOXL2PTPRBCYP19A1SMN1; SMN2KDM4E

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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 PDPK1 4248/4885CTSA 3233/4885LOXL2 3165/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 PDPK1 3918/4885CTSA 2877/4885LOXL2 3226/4885

“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.