SCHEMBL333164

SCHEMBL333164

ClCc1nnc(-c2ccccn2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
LMNA P02545 3/20 0.59
EGFR P00533 1/20 0.53
KDM4E B2RXH2 6/20 0.47
HPGD P15428 4/20 0.47
PKM P14618 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NOTUM Q6P988 1/20 0.45
TP53 P04637 3/20 0.45
CYP1A2 P05177 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43

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
SCHEMBL17663311 0.83 ALDH1A1 (0.54) ALDH1A1LMNAEGFRKDM4EHPGD
SCHEMBL10553462 0.81 KDM4E (0.59) ALDH1A1LMNAEGFRKDM4EHPGD
SCHEMBL29011088 0.80 RAB9A (0.63) ALDH1A1EGFRKDM4EHPGDNPC1
SCHEMBL26777806 0.80 ALDH1A1 (0.51) ALDH1A1EGFRKDM4EHPGDPKM
SCHEMBL9923084 0.79 EGFR (0.50) ALDH1A1EGFRKDM4EHPGDPKM
SCHEMBL17659943 0.79 NPC1 (0.55) ALDH1A1EGFRKDM4EHPGDPKM
SCHEMBL28876889 0.78 EGFR (0.49) ALDH1A1EGFRKDM4EHPGDPKM
SCHEMBL18647956 0.76 EGFR (0.51) ALDH1A1EGFRKDM4EHPGDPKM
SCHEMBL485159 0.74 ALDH1A1 (1.00) ALDH1A1LMNAKDM4EHPGDNPC1
SCHEMBL25374503 0.73 KDM4E (0.50) ALDH1A1LMNAEGFRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097594-B2 Macrolides and ketolides having antimicrobial activity WOCKHARDT LTD. (IN) 2012-01-17 US disclosed
US-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity SINDKHEDKAR MILIND DATTATRAYA 2009-10-01 US disclosed
EP-2056844-A2 NOVEL MACROLIDES AND KETOLIDES HAVING ANTIMICROBIAL ACTIVITY Wockhardt Research Centre (IN) 2009-05-13 EP disclosed
WO-2008023248-A2 NOVEL MACROLIDES AND KETOLIDES HAVING ANTIMICROBIAL ACTIVITY WOCKHARDT RESEARCH CENTRE (IN) 2008-02-28 WO disclosed
EP-0222576-B1 HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS PFIZER INC. (US) 1992-03-18 EP disclosed
US-4939140-A ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1990-07-03 US disclosed
EP-0222576-A2 Heterocyclic oxophthalazinyl acetic acids PFIZER INC. (US) 1987-05-20 EP 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-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity CYP51A1, CASP12, LSS ALDH1A1 4164/4885LMNA 2135/4885EGFR 4316/4885

“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.