Sugi Predict

Sugi Predict / Compounds / SCHEMBL4553592

SCHEMBL4553592

SCHEMBL4553592

c1ccc(NN2CCSCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ CYP2A13 Q16696 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ AR P10275 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CTSD P07339 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CDK9 P50750 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
SCHEMBL4055295 0.84 ALDH1A1 (0.43) CYP1A2TDP1L3MBTL1ARSMN1; SMN2
SCHEMBL1752645 0.79 KDM1A (0.50) CYP1A2TDP1L3MBTL1RAB9ALMNA
SCHEMBL1829575 0.79 KDM1A (0.46) CYP1A2TDP1L3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL19996083 0.77 KDM1A (0.48) CYP1A2TDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL73610 0.77 KDM1A (0.53) CYP1A2TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL17911056 0.77 KDM1A (0.53) CYP1A2TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL7627201 0.77 KDM1A (0.53) CYP1A2TDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL1399548 0.74 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2POLBKDM4EEPHX2
SCHEMBL644787 0.74 POLB (0.49) CYP1A2TDP1ALDH1A1POLB
SCHEMBL657883 0.74 MAPT (0.50) RAB9ASMN1; SMN2LMNAALDH1A1KDM4E

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-9238628-B2 Phenyl amino pyrimidine compounds and uses thereof YM Biosicences Australia PTY LTD (US) 2016-01-19 — — US disclosed
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-09 — — US disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 — — EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 — — WO disclosed
US-20040110745-A1 Therapeutic chroman compounds INTEL CORPORATION 2004-06-10 — — 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-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 CYP1A2 2527/4885PTPN11 526/4885TDP1 1438/4885
US-20040110745-A1 Therapeutic chroman compounds HTR1A, ACHE, CALCA CYP1A2 85/4885PTPN11 4376/4885TDP1 1304/4885

“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.