SCHEMBL671136

SCHEMBL671136

NCCCC1=Cc2cnc3nc4ccccc4cc3c2C(=O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PTBP1 P26599 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ DHODH Q02127 1/20 0.31
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL670008 0.65 KMT2A (0.35) GAAKMT2AMAPTKDM4ENPC1
SCHEMBL670495 0.64 KDM4E (0.59) GAAKMT2AMAPTKDM4ENPC1
SCHEMBL669754 0.64 MAPT (0.33) GAAKMT2AMAPTKDM4ENPC1
SCHEMBL5507000 0.61 DHODH (0.47) ALDH1A1DHODH
Acridine SCHEMBL27894463 0.60 MAPT (0.68) GAAKMT2AMAPTKDM4ENPC1
Hydrochloric Acid SCHEMBL28248902 0.58 ALDH1A1 (0.47) GAAKMT2AMAPTKDM4ENPC1
SCHEMBL3639840 0.57 ATM (0.63) NPC1IDO1
SCHEMBL9628083 0.57 MAPT (0.41) GAAKMT2AMAPTKDM4ENPC1
SCHEMBL11547422 0.57 SRC (0.56) GAAKMT2AMAPTKDM4EALDH1A1
SCHEMBL3387991 0.57 KMT2A (0.62) KMT2AMAPTALDH1A1GLAHPGD

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-9073920-B2 Substituted dibenzonaphthyridines, pharmaceutical uses thereof and processes therfor PURDUE RESEARCH FOUNDATION (US) 2015-07-07 — — US disclosed
US-20130143878-A1 SUBSTITUTED DIBENZONAPHTHYRIDINES, PHARMACEUTICAL USES THEREOF AND PROCESSES THERFOR PURDUE RESEARCH FOUNDATION (US) 2013-06-06 — — US disclosed
WO-2012024437-A1 SUBSTITUTED DIBENZONAPHTHYRIDINES, PHARMACEUTICAL USES THEREOF AND PROCESSES THERFOR PURDUE RESEARCH FOUNDATION (US) 2012-02-23 — — 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-20130143878-A1 SUBSTITUTED DIBENZONAPHTHYRIDINES, PHARMACEUTICAL USES THEREOF AND PROCESSES THERFOR KRAS, QDPR, BTD GAA 509/4885KMT2A 3863/4885MAPT 2790/4885

“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.

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