SCHEMBL1787090

SCHEMBL1787090

Nc1sc2c(c1C(=O)O)CCN(Cc1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 1.00
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
MAPT P10636 2/20 0.74
LMNA P02545 1/20 0.74
PTPN2 P17706 1/20 0.67
PTPN1 P18031 1/20 0.67
KDM4E B2RXH2 2/20 0.60
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 1/20 0.56
RAD52 P43351 1/20 0.56

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
SCHEMBL12608918 0.90 ADORA1 (0.82) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL16007300 0.87 ADORA1 (0.80) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL5712840 0.86 ADORA1 (0.76) ADORA1MEN1KMT2AMAPTLMNA
Tinoridine SCHEMBL24761 0.85 ADORA1 (1.00) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL5676520 0.85 ADORA1 (0.74) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL138362 0.85 ADORA1 (0.74) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL5676765 0.84 ADORA1 (0.72) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL5676492 0.84 ADORA1 (0.72) ADORA1MEN1KMT2AMAPTLMNA
SCHEMBL5676456 0.84 ADORA1 (0.72) ADORA1MEN1KMT2AMAPTLMNA
Tinoridine SCHEMBL217049 0.84 ADORA1 (0.98) ADORA1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US claimed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 US claimed
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S.A. (BR) 2011-05-19 US claimed

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-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 ADORA1 565/4885MEN1 4588/4885KMT2A 1891/4885
US-20110118303-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 ADORA1 565/4885MEN1 4588/4885KMT2A 1891/4885

“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.