SCHEMBL17634368

SCHEMBL17634368

COc1cc(C)cc(-c2nc3ccccc3c3cc4ccccn4c23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ VDR P11473 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ NR1I3 Q14994 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 3/20 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
SCHEMBL17620564 0.93 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL17620575 0.86 ADORA2A (0.53) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL17620548 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL17634373 0.85 LMNA (0.38) KDM4EALDH1A1HPGDMAPTCYP1A2
SCHEMBL17634383 0.83 ALDH1A1 (0.39) KDM4EALDH1A1MAPTRAB9ACYP1A2
SCHEMBL17620578 0.82 TDP1 (0.49) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL17620557 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL17634369 0.80 POLB (0.44) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL17620589 0.80 L3MBTL1 (0.55) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL17620537 0.79 LMNA (0.42) KDM4EALDH1A1HPGDMAPTCYP1A2

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 KDM4E 3338/4885ALDH1A1 1709/4885HPGD 1341/4885

“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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