SCHEMBL4101204

SCHEMBL4101204

NC(=O)c1ccc(N2CCCCC2=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
F10 P00742 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
DGAT1 O75907 1/20 0.43
LMNA P02545 2/20 0.43
LRRK2 Q5S007 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 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
SCHEMBL5830557 0.99 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5830580 0.90 DGAT1 (0.46) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5830502 0.83 BRD9 (0.51) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL31444467 0.83 HPGD (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL77996 0.81 BRD9 (0.47) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL21515221 0.81 BRD9 (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5421060 0.80 BRD9 (0.46) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL20976865 0.79 IP6K1 (0.51) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31327695 0.78 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL3564377 0.78 JAK2 (0.46) F10DGAT1LRRK2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US claimed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP claimed
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US claimed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO claimed
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 US disclosed
US-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade WARNER-LAMBERT COMPANY LLC 2008-11-20 US disclosed
US-7407974-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 US disclosed
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US disclosed
EP-1539686-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
US-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. 2004-08-26 US disclosed
WO-2004024679-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2004-03-25 WO disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 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 (3 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-20040167131-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, SERPINC1, F11 ALDH1A1 4342/4885HPGD 2709/4885CYP1A2 3649/4885
US-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade TFPI, F11, F2 ALDH1A1 2918/4885HPGD 1548/4885CYP1A2 764/4885
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI ALDH1A1 2421/4885HPGD 1734/4885CYP1A2 670/4885

“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.