SCHEMBL2730470

SCHEMBL2730470

CC(C)n1c(=S)[nH]c2cc3c(cc2c1=O)OCCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 1.00
▸ ALDH1A1 P00352 6/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TSHR P16473 1/20 0.49
▸ MPO P05164 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL2731131 0.78 XDH (0.64) XDHALDH1A1TSHRMPOHSD17B10
SCHEMBL2730994 0.77 XDH (0.62) XDHALDH1A1L3MBTL1MPOKMT2A
SCHEMBL15537894 0.74 ALDH1A1 (0.73) XDHALDH1A1L3MBTL1MPOHSD17B10
SCHEMBL2731128 0.71 MPO (0.67) XDHALDH1A1TSHRMPOHSD17B10
SCHEMBL10289262 0.71 ALDH1A1 (0.60) XDHALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL2730571 0.70 XDH (0.59) XDHALDH1A1TSHRMPOHSD17B10
SCHEMBL21642532 0.62 PKM (0.50) XDHALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL10637562 0.59 XDH (0.42) XDHALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL13599975 0.59 ALDH1A1 (1.00) XDHALDH1A1L3MBTL1RAB9ARXFP1
SCHEMBL18962461 0.59 ALDH1A1 (0.57) XDHALDH1A1TSHRHSD17B10NPC1

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
EP-2632466-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO Emory University (US) 2013-09-04 — — EP claimed
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 — — US claimed
WO-2012058211-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2012-05-03 — — WO claimed
US-9868728-B2 Quinazoline derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2018-01-16 — — US disclosed
EP-2886120-A1 Quinazoline derivatives, compositions and uses related thereto Emory University (US) 2015-06-24 — — EP disclosed
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 — — US disclosed
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 — — US disclosed
WO-2012058211-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2012-05-03 — — 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 (1 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-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX4, NOX5, NQO2 XDH 11/4885ALDH1A1 458/4885L3MBTL1 4649/4885

“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.

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