SCHEMBL3990015

SCHEMBL3990015

N=C(c1ccc(C2=NOC(C(N)=O)C2)cc1)N1CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ APAF1 O14727 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ GRK2 P25098 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ ITGB3 P05106 4/20 0.43
▸ ITGA2B P08514 4/20 0.43
▸ F2 P00734 2/20 0.43
▸ F10 P00742 2/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ ITGB2 P05107 1/20 0.43
▸ ITGAM P11215 1/20 0.43
▸ MAPT P10636 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
SCHEMBL3987039 0.97 RAB9A (0.56) RAB9ANPC1CASP1SMN1; SMN2APAF1
SCHEMBL3989111 0.96 RAB9A (0.58) RAB9ANPC1CASP1SMN1; SMN2APAF1
SCHEMBL3984219 0.87 RAB9A (0.55) RAB9ANPC1CASP1SMN1; SMN2APAF1
SCHEMBL3987305 0.85 NPC1 (0.58) RAB9ANPC1CASP1SMN1; SMN2APAF1
SCHEMBL3984468 0.80 HSD17B10 (0.46) RAB9ANPC1CASP1SMN1; SMN2POLB
SCHEMBL3985568 0.79 NPC1 (0.47) RAB9ANPC1CASP1SMN1; SMN2POLB
SCHEMBL3990018 0.79 NPC1 (0.47) RAB9ANPC1CASP1SMN1; SMN2POLB
SCHEMBL3984021 0.79 NPC1 (0.47) RAB9ANPC1CASP1SMN1; SMN2POLB
SCHEMBL3983172 0.79 HSD17B10 (0.43) RAB9ANPC1CASP1SMN1; SMN2PDE4A
SCHEMBL7377355 0.78 RAB9A (0.57) RAB9ANPC1CASP1SMN1; SMN2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 — — EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 — — US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 — — US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 — — US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 — — US disclosed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 — — EP disclosed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 — — US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 — — 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-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor TFPI, TFPI2, F12 RAB9A 3528/4885NPC1 1087/4885CASP1 100/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 RAB9A 2543/4885NPC1 887/4885CASP1 193/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 RAB9A 2543/4885NPC1 887/4885CASP1 193/4885

“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.

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