SCHEMBL17634383

SCHEMBL17634383

COc1cc(C)cc(-c2ccc3cc4c5ccccc5nc(-c5ccc(C)cc5)c4n3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ACP1 P24666 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ ADORA2A P29274 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ VDR P11473 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ NR1I3 Q14994 1/20 0.36

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
SCHEMBL17620566 0.89 ALDH1A1 (0.48) ALDH1A1NPSR1TDP1LMNAKDM4E
SCHEMBL17634378 0.88 FLT3 (0.38) ALDH1A1NPSR1TDP1LMNAKDM4E
SCHEMBL17634368 0.83 KDM4E (0.42) ALDH1A1NPSR1RAB9ATDP1LMNA
SCHEMBL17620549 0.82 FLT3 (0.40) ALDH1A1NPSR1TDP1LMNAKDM4E
SCHEMBL17634379 0.79 TDP1 (0.44) ALDH1A1NPSR1RAB9ATDP1LMNA
SCHEMBL17620580 0.79 LMNA (0.48) ALDH1A1NPSR1TDP1LMNAKDM4E
SCHEMBL17634380 0.78 ALDH1A1 (0.49) ALDH1A1NPSR1RAB9ATDP1KDM4E
SCHEMBL17620568 0.77 MAPT (0.49) ALDH1A1NPSR1RAB9ATDP1LMNA
SCHEMBL17620578 0.77 TDP1 (0.49) ALDH1A1RAB9ATDP1LMNAKDM4E
SCHEMBL17620564 0.76 KDM4E (0.46) ALDH1A1NPSR1RAB9ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-21 — — US disclosed
US-9296751-B1 Indolizino[3,2-c]quinoline derivatives, pharmaceutically acceptable salt thereof, preparation method thereof and pharmaceutical composition for treatment of cystic fibrosis containing the same as active ingredient INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-03-29 — — 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-20160108042-A1 INDOLIZINO[3,2-c]QUINOLINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CYSTIC FIBROSIS CONTAINING THE SAME AS ACTIVE INGREDIENT CFTR, AQP3, AQP1 ALDH1A1 1709/4885NPSR1 1942/4885RAB9A 1481/4885

“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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