SCHEMBL4896504

SCHEMBL4896504

I[CH]CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL4897366 0.93 MAOA (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4896631 0.91 MAPT (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4894978 0.85 ALDH1A1 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL867076 0.83 ALDH1A1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11774828 0.82 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11774835 0.82 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3334933 0.80 SIGMAR1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL66826 0.76 SIGMAR1 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL364434 0.76 SIGMAR1 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22319078 0.76 SIGMAR1 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6

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 HDAC3 3006/4885HDAC1 4191/4885HDAC2 2512/4885

“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.