SCHEMBL5796823

SCHEMBL5796823

O=C(NCCN1CCOCC1)c1cccc2cc(Oc3cc(Cl)ncn3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.48
POLR1A O95602 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SCN9A Q15858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL6307064 0.89 KDR (0.58) KDRPOLR1ACYP1A2CYP2D6CYP2C19
SCHEMBL6308977 0.88 KDR (0.48) KDRPOLR1ACYP1A2CYP2D6CYP2C19
SCHEMBL5799391 0.88 KDR (0.56) KDRPOLR1ACYP1A2CYP2D6CYP2C19
SCHEMBL6314939 0.86 KDR (0.49) KDRPOLR1ACYP1A2CYP2D6CYP2C19
SCHEMBL6317026 0.84 KDR (0.43) KDRPOLR1ACYP1A2CYP2D6CYP2C19
SCHEMBL6309553 0.83 KDR (0.53) KDRPOLR1ACYP1A2CYP2D6CYP2C19
SCHEMBL6314462 0.83 KDR (0.43) KDRPOLR1ASCN9AKDM4EALDH1A1
SCHEMBL5798765 0.82 KDR (0.58) KDRKDM4EALDH1A1POLBHPGD
SCHEMBL6309682 0.81 KDR (0.49) KDRPOLR1ASCN9AKDM4EALDH1A1
SCHEMBL6310268 0.80 KDR (0.53) KDRPOLR1ACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660503-A1 NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2006-05-31 EP disclosed
US-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents AGOURON PHARMACEUTICALS, INC. 2005-03-31 US disclosed
WO-2005021553-A1 NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2005-03-10 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-20050070508-A1 Napthalene carboxamides and their derivatives useful as new anti-angiogenic agents CCNA1, CCNA2, CCNT1 KDR 30/4885POLR1A 199/4885CYP1A2 149/4885

“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.