SCHEMBL7018581

SCHEMBL7018581

O=C(NCc1ccccc1Cl)c1ccc2ncccc2n1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
TSHR P16473 1/20 0.52
MAPK8 P45983 2/20 0.52
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.49
MAOB P27338 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL7013155 0.85 LMNA (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7018585 0.82 NPC1 (0.69) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL7016468 0.82 MEN1 (0.74) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7017456 0.82 POLB (0.64) NPC1RAB9AMAPK8POLBHPGD
SCHEMBL5095610 0.80 NPC1 (0.77) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL7015347 0.79 MEN1 (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7014523 0.79 MEN1 (0.55) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13491517 0.78 POLB (0.59) NPC1RAB9AMEN1KMT2AMAPK8
SCHEMBL13491586 0.78 POLB (0.59) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13491690 0.77 MAPK1 (0.48) NPC1RAB9AMEN1KMT2ATSHR

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-6605614-B2 Anti-hepatitis or anti-herpes BIOCHEM PHARMA INC. (CA) 2003-08-12 US claimed
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP claimed
JP-2002537396-A 2002-11-05 JP claimed
US-20020099072-A1 [1,8] naphthyridine derivatives having antiviral activity BIOCHEM PHARMA INC. 2002-07-25 US claimed
US-6340690-B1 INHIBITING HEPATITIS OR HERPES VIRAL INFECTIONS BIO-CHEM PHARMA INC. (CA) 2002-01-22 US claimed
EP-1155017-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY Shire Biochem Inc. (CA) 2001-11-21 EP claimed
WO-2000050424-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BIOCHEM PHARMA INC. (CA) 2000-08-31 WO claimed
US-6605614-B2 Anti-hepatitis or anti-herpes BIOCHEM PHARMA INC. (CA) 2003-08-12 US disclosed
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP disclosed
US-20020099072-A1 [1,8] naphthyridine derivatives having antiviral activity BIOCHEM PHARMA INC. 2002-07-25 US disclosed
US-6340690-B1 INHIBITING HEPATITIS OR HERPES VIRAL INFECTIONS BIO-CHEM PHARMA INC. (CA) 2002-01-22 US disclosed
EP-1155017-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY Shire Biochem Inc. (CA) 2001-11-21 EP disclosed
WO-2000050424-A1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BIOCHEM PHARMA INC. (CA) 2000-08-31 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-20020099072-A1 [1,8] naphthyridine derivatives having antiviral activity HAVCR2, MAVS, NTPCR NPC1 67/4885RAB9A 1107/4885CYP1A2 880/4885

“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.