SCHEMBL4895093

SCHEMBL4895093

CCCC[CH]c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CHAT P28329 1/20 0.37
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
RELA Q04206 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2881012 0.94 ALDH1A1 (0.43) ALDH1A1HPGDLMNASMN1; SMN2CHAT
SCHEMBL4897337 0.88 ALDH1A1 (0.46) ALDH1A1HPGDLMNASMN1; SMN2CHAT
SCHEMBL10708111 0.85 DRD3 (0.40) ALDH1A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL3437033 0.81 CHAT (0.42) ALDH1A1HPGDLMNASMN1; SMN2CHAT
SCHEMBL10323297 0.81 CHAT (0.42) ALDH1A1HPGDLMNASMN1; SMN2CHAT
SCHEMBL1157213 0.81 ALDH1A1 (0.52) ALDH1A1HPGDLMNASMN1; SMN2CHAT
SCHEMBL1611320 0.78 TSHR (0.45) ALDH1A1HPGDLMNACYP1A2KDM4E
SCHEMBL3456967 0.77 CYP2D6 (0.35) ALDH1A1CYP1A2HTTTSHRMAPT
Pentane SCHEMBL27715496 0.76 ALDH1A1 (0.72) ALDH1A1HPGDLMNASMN1; SMN2CHAT
SCHEMBL4890465 0.76 NFE2L2 (0.46) ALDH1A1SMN1; SMN2TRPA1CYP1A2RELA

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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
EP-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 ALDH1A1 1204/4885HPGD 1749/4885LMNA 2530/4885

“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.