SCHEMBL4890465

SCHEMBL4890465

CCCC[CH]c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 9/20 0.46
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RELA Q04206 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL4889042 0.94 NFE2L2 (0.45) NFE2L2RAB9AL3MBTL1NPC1ALOX12
SCHEMBL4890473 0.88 NFE2L2 (0.50) NFE2L2RAB9AL3MBTL1NPC1ALOX12
SCHEMBL15051245 0.81 NFE2L2 (0.54) NFE2L2RAB9AL3MBTL1NPC1ALOX12
SCHEMBL15051244 0.81 NFE2L2 (0.54) NFE2L2RAB9AL3MBTL1NPC1ALOX12
SCHEMBL3713124 0.81 NFE2L2 (0.56) NFE2L2RAB9ANPC1ALDH1A1TRPA1
SCHEMBL1611320 0.78 TSHR (0.45) RAB9AL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4889340 0.76 HSD11B1 (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL15563320 0.76 POLB (0.37)
SCHEMBL4897359 0.76 APP (0.36) ALDH1A1
SCHEMBL9663811 0.76 MAPT (0.44) NFE2L2RAB9ANPC1ALOX12ALDH1A1

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 NFE2L2 2618/4885RAB9A 2275/4885L3MBTL1 4026/4885

“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.