SCHEMBL12348331

SCHEMBL12348331

CNC(=N)c1ccc2[nH]c(-c3ccc4c(c3)oc3cc(-c5nc6cc(C(=N)NC)ccc6[nH]5)ccc34)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.42
RHEB Q15382 1/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PLAU P00749 1/20 0.35
PRSS1 P07477 1/20 0.35
GUSB P08236 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34

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
Hydrochloric Acid SCHEMBL11327140 0.85 RHEB (0.46) CHEK2RHEBKDM4ENPC1RAB9A
SCHEMBL23775855 0.78 PLAU (0.47) CHEK2PLAUPRSS1
Hydrochloric Acid SCHEMBL11493464 0.74 KDM4E (0.43) CHEK2RHEBKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL11332860 0.72 HDAC3 (0.42) CHEK2RHEBKDM4ENPC1RAB9A
SCHEMBL1842123 0.72 CHEK2 (0.51) CHEK2RHEBKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL11298541 0.72 HDAC6 (0.44) CHEK2RHEBKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL11480239 0.72 HDAC6 (0.44) CHEK2RHEBKDM4ENPC1RAB9A
SCHEMBL6506681 0.70 HDAC6 (0.47) CHEK2KDM4ENPC1RAB9AALDH1A1
SCHEMBL14599569 0.70 PLAU (0.51) CHEK2KDM4ENPC1RAB9AHPGD
SCHEMBL23775790 0.70 PLAU (0.51) KDM4EALDH1A1HPGDPLAUPRSS1

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
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 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-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 CHEK2 4765/4885RHEB 1408/4885KDM4E 4467/4885

“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.