SCHEMBL4586702

SCHEMBL4586702

N#Cc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
AKR1C3 P42330 5/20 0.49
HPGD P15428 3/20 0.49
HTR1A P08908 2/20 0.48
ACACB O00763 1/20 0.48
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
F10 P00742 1/20 0.45
BRD9 Q9H8M2 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 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
SCHEMBL7421728 0.95 ALDH1A1 (0.57) ALDH1A1AKR1C3HPGDHTR1APOLB
SCHEMBL7422542 0.87 POLB (0.49) ALDH1A1AKR1C3HTR1APOLBKDM4E
SCHEMBL4411364 0.81 ALOX5 (0.55) ALDH1A1HPGDHTR1AMEN1KMT2A
SCHEMBL7086320 0.79 ALDH1A1 (0.54) ALDH1A1ACACBPOLBMEN1BLM
SCHEMBL11142367 0.79 ALDH1A1 (0.74) ALDH1A1AKR1C3HPGDSMN1; SMN2TSHR
SCHEMBL85175 0.78 ALDH1A1 (0.58) ALDH1A1AKR1C3HPGDPOLBMEN1
SCHEMBL19995314 0.77 ALDH1A1 (0.64) ALDH1A1AKR1C3HPGDACACBPOLB
SCHEMBL85591 0.77 ALDH1A1 (0.57) ALDH1A1AKR1C3HPGDPOLBMEN1
SCHEMBL182890 0.77 ALDH1A1 (0.51) ALDH1A1AKR1C3HPGDSMN1; SMN2LMNA
SCHEMBL10112811 0.77 IDO1 (0.57) ALDH1A1AKR1C3HPGDSMN1; SMN2TSHR

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
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
US-7122557-B2 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US disclosed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors TFPI, SPINT2, TMPRSS4 ALDH1A1 3897/4885AKR1C3 3262/4885HPGD 3467/4885

“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.