SCHEMBL4465829

SCHEMBL4465829

O=C(O)C1Cc2sccc2CN1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.48
ACE P12821 1/20 0.40
GRIA2 P42262 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PNMT P11086 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.33

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
SCHEMBL11363930 1.00 EGLN1 (0.48) EGLN1ACEGRIA2GAAMAPT
Hydrochloric Acid SCHEMBL8383923 0.98 EGLN1 (0.47) EGLN1ACEGRIA2GAAMAPT
SCHEMBL21899389 0.88 EGLN1 (0.47) EGLN1ACEGRIA2GAAMAPT
SCHEMBL7966594 0.88 EGLN1 (0.47) EGLN1ACEGRIA2GAAMAPT
Hydrochloric Acid SCHEMBL11356030 0.86 EGLN1 (0.46) EGLN1ACEGRIA2GAAMAPT
Hydrochloric Acid SCHEMBL8384193 0.86 EGLN1 (0.46) EGLN1ACEGRIA2GAAMAPT
Hydrochloric Acid SCHEMBL11356027 0.86 EGLN1 (0.46) EGLN1ACEGRIA2GAAMAPT
SCHEMBL23480476 0.81 KMT2A (0.49) GAAMAPTPNMTKMT2A
Hydrochloric Acid SCHEMBL9789713 0.80 KMT2A (0.48) GAAMAPTPNMTKMT2A
Hydrochloric Acid SCHEMBL9789645 0.80 KMT2A (0.48) GAAMAPTPNMTKMT2A

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-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
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 WO disclosed
US-4261999-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC RHONE-POULENC INDUSTRIES (FR) 1981-04-14 US disclosed
US-4147787-A ANTICOAGULANTS PARCOR (FR) 1979-04-03 US 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-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 EGLN1 256/4885ACE 639/4885GRIA2 4417/4885

“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.