SCHEMBL4912307

SCHEMBL4912307

[CH2]N(C(=O)OCC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
TP53 P04637 1/20 0.43
PIN1 Q13526 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4922131 0.86 LMNA (0.51) ALDH1A1MAPTHSD17B10CYP1A2CYP2C9
SCHEMBL4914215 0.83 TSHR (0.51) ALDH1A1MAPTHSD17B10CYP1A2CYP2C9
Ethylene SCHEMBL9312122 0.81 L3MBTL1 (0.52) ALDH1A1MAPTHSD17B10CYP1A2CYP2C9
SCHEMBL1363531 0.81 L3MBTL1 (0.55) ALDH1A1MAPTHSD17B10CYP1A2CYP2C9
SCHEMBL14311839 0.81 CA1 (0.56) ALDH1A1MAPTCYP1A2HPGDMEN1
SCHEMBL442790 0.79 CHRNB2 (0.59) ALDH1A1MAPTHSD17B10CYP1A2CYP2C9
SCHEMBL874326 0.79 CTDSP1 (0.73) ALDH1A1MAPTHSD17B10CYP1A2CYP2C9
Benzene SCHEMBL1720409 0.79 CHRNB2 (0.59) ALDH1A1MAPTHSD17B10CYP1A2CYP2C9
SCHEMBL31147823 0.79 L3MBTL1 (0.53) ALDH1A1MAPTHSD17B10CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL27606948 0.79 L3MBTL1 (0.53) ALDH1A1MAPTHSD17B10CYP1A2CYP2C9

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 ALDH1A1 849/4885MAPT 4568/4885HSD17B10 4777/4885

“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.