SCHEMBL3373082

SCHEMBL3373082

CCCCN[C]1CCCO1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4767111 0.94 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4723819 0.82 CA1 (0.33) MEN1KMT2A
SCHEMBL4723576 0.81 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3374652 0.79
SCHEMBL4723580 0.74 HTT (0.34) SMN1; SMN2ALDH1A1HTT
SCHEMBL4721703 0.72 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL4721707 0.70 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EHTTTSHR
SCHEMBL3373049 0.69 CYP2D6 (0.45)
SCHEMBL11124587 0.68 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4764028 0.68 GAA (0.32) MEN1KMT2A

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-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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 (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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 SMN1; SMN2 4511/4885ALDH1A1 622/4885KDM4E 2584/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI SMN1; SMN2 1596/4885ALDH1A1 517/4885KDM4E 4172/4885

“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.