SCHEMBL14727612

SCHEMBL14727612

Fc1ccc(-c2ccc3nc(-c4cccnc4)nc(N4CCOCC4)c3c2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ HTT P42858 2/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ GBA1 P04062 3/20 0.63
▸ PIK3CA P42336 9/20 0.54
▸ LMNA P02545 4/20 0.52
▸ TSHR P16473 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CYP1A2 P05177 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ MTOR P42345 5/20 0.45
▸ PIK3CD O00329 3/20 0.45
▸ PIK3CG P48736 3/20 0.45

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
SCHEMBL16183750 0.92 ALDH1A1 (0.58) ALDH1A1HTTSMN1; SMN2GBA1LMNA
SCHEMBL14727603 0.92 LMNA (0.61) ALDH1A1HTTSMN1; SMN2GBA1LMNA
SCHEMBL14727609 0.91 LMNA (0.63) ALDH1A1HTTSMN1; SMN2GBA1LMNA
SCHEMBL14727620 0.87 ALDH1A1 (0.63) ALDH1A1HTTSMN1; SMN2GBA1PIK3CA
SCHEMBL16183754 0.86 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2GBA1LMNA
SCHEMBL16184049 0.85 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2GBA1LMNA
SCHEMBL16183751 0.85 TSHR (0.47) ALDH1A1HTTSMN1; SMN2GBA1LMNA
SCHEMBL16184226 0.84 TSHR (0.58) ALDH1A1HTTSMN1; SMN2GBA1PIK3CA
SCHEMBL18023038 0.83 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2GBA1PIK3CA
SCHEMBL16184144 0.83 LMNA (0.62) ALDH1A1HTTSMN1; SMN2GBA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 — — EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — 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 (4 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885HTT 681/4885SMN1; SMN2 3273/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ALDH1A1 2732/4885HTT 1065/4885SMN1; SMN2 3347/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885HTT 681/4885SMN1; SMN2 3273/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB ALDH1A1 1687/4885HTT 1176/4885SMN1; SMN2 3987/4885

“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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