SCHEMBL3566446

SCHEMBL3566446

Nc1ccc(C(=O)N2CCOC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.58
ALDH1A1 P00352 3/20 0.58
PHGDH O43175 1/20 0.56
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
AKR1C3 P42330 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
MLYCD O95822 1/20 0.48
POLB P06746 1/20 0.47
DNMT1 P26358 1/20 0.47

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
SCHEMBL103440 0.89 PHGDH (0.69) HPGDALDH1A1PHGDHCA12CA1
SCHEMBL25425485 0.83 PHGDH (0.61) HPGDALDH1A1PHGDHCA12CA1
SCHEMBL25811334 0.83 ALDH1A1 (0.61) HPGDALDH1A1PHGDHAKR1C3SMN1; SMN2
SCHEMBL255278 0.82 HPGD (0.70) HPGDALDH1A1PHGDHSMN1; SMN2TSHR
SCHEMBL21360559 0.81 HPGD (0.60) HPGDALDH1A1PHGDHCA12CA1
SCHEMBL25253737 0.79 HPGD (0.54) HPGDALDH1A1PHGDHAKR1C3L3MBTL1
SCHEMBL10720943 0.79 PHGDH (0.81) HPGDALDH1A1PHGDHAKR1C3L3MBTL1
SCHEMBL20261717 0.79 CA12 (0.73) HPGDALDH1A1CA12CA1CA2
SCHEMBL18874233 0.79 HPGD (0.57) HPGDALDH1A1PHGDHCA12CA1
SCHEMBL11814357 0.79 PHGDH (0.55) HPGDALDH1A1PHGDHCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 HPGD 441/4885ALDH1A1 1143/4885PHGDH 1836/4885
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 HPGD 340/4885ALDH1A1 508/4885PHGDH 2047/4885

“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.