SCHEMBL3409601

SCHEMBL3409601

Fc1ccc(-c2cnc(N3CCOCC3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.54
MTOR P42345 4/20 0.54
ALDH1A1 P00352 6/20 0.52
CYP1A2 P05177 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
CYP2C19 P33261 1/20 0.52
CASP1 P29466 4/20 0.52
CASP7 P55210 4/20 0.52
HIF1A Q16665 4/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
CNR2 P34972 1/20 0.51
AOC3 Q16853 2/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49

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
SCHEMBL15515210 1.00 PIK3CA (0.54) PIK3CAMTORALDH1A1CYP1A2KDM4E
SCHEMBL21722965 0.83 KCNH2 (0.50) PIK3CAMTORALDH1A1KDM4ECNR2
SCHEMBL30775408 0.82 KDM4E (0.61) PIK3CAMTORALDH1A1KDM4ETSHR
SCHEMBL6787637 0.80 HTR7 (0.54) ALDH1A1CYP1A2KDM4EHPGDCYP2C19
SCHEMBL4774311 0.80 CASP1 (0.53) PIK3CAMTORALDH1A1CYP1A2KDM4E
Hydrochloric Acid SCHEMBL20293632 0.79 HTR7 (0.52) ALDH1A1CYP1A2KDM4EHPGDCYP2C19
Hydrochloric Acid SCHEMBL6786943 0.79 HTR7 (0.52) ALDH1A1CYP1A2KDM4EHPGDCYP2C19
SCHEMBL18151466 0.79 PIK3CA (0.71) PIK3CAMTORCNR2PIK3R1POLB
SCHEMBL1742764 0.76 OGA (0.46) PIK3CAMTORCYP1A2KDM4EPIK3CG
SCHEMBL22279054 0.76 KDM4E (0.57) ALDH1A1CYP1A2KDM4EHPGDCYP2C19

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189477-A1 Methods and Compositions of P27KIP1 Transcriptional Modulators NIH-DEITR 2017-07-06 US claimed
US-9572815-B2 Methods and compositions of p27KIP1 transcriptional modulators ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-02-21 US claimed
US-20160030445-A1 METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTIONAL MODULATORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-02-04 US claimed
WO-2014145205-A2 METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTION MODULATORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-18 WO claimed
EP-2254572-A2 COMPOUNDS THAT ENHANCE ATOH-1 EXPRESSION Massachusetts Eye & Ear Infirmary (US) 2010-12-01 EP claimed
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-09-17 US claimed
WO-2009100438-A2 COMPOUNDS THAT ENHANCE ATOH-1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-08-13 WO claimed
US-12043653-B2 Efficient delivery of therapeutic molecules to cells of the inner ear MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2024-07-23 US disclosed
US-11963968-B2 Treatment of hearing loss MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2024-04-23 US disclosed
US-20240100079-A1 METHODS AND COMPOSITIONS FOR REGENERATING HAIR CELLS IN THE INNER EAR OF ADULT MAMMALS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-03-28 US disclosed
CN-117377478-A Methods and compositions for regenerating hair cells in the inner ear of an adult mammal 麻省眼耳科医院 2024-01-09 CN disclosed
EP-4288066-A1 METHODS AND COMPOSITIONS FOR REGENERATING HAIR CELLS IN THE INNER EAR OF ADULT MAMMALS Massachusetts Eye and Ear Infirmary (US) 2023-12-13 EP disclosed
US-20230277574-A1 TREATMENT OF HEARING LOSS MASSACHUSETTS EYE AND EAR INFIRMARY 2023-09-07 US disclosed
US-8188131-B2 Compounds that enhance Atoh1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2012-05-29 US disclosed
US-8188131-B2 Compounds that enhance Atoh1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2012-05-29 US disclosed
US-8188131-B2 Compounds that enhance Atoh1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2012-05-29 US disclosed
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-09-17 US disclosed
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-09-17 US disclosed
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-09-17 US disclosed
WO-2009100438-A2 COMPOUNDS THAT ENHANCE ATOH-1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-08-13 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 (6 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-20230277574-A1 TREATMENT OF HEARING LOSS HES1, NOTCH1, NOTCH4 PIK3CA 240/4885MTOR 6/4885ALDH1A1 2645/4885
US-12043653-B2 Efficient delivery of therapeutic molecules to cells of the inner ear HES1, NOTCH1, NOTCH2 PIK3CA 4062/4885MTOR 3441/4885ALDH1A1 1081/4885
US-20170189477-A1 Methods and Compositions of P27KIP1 Transcriptional Modulators WNT1, CTNNB1, CTNNBL1 PIK3CA 930/4885MTOR 1561/4885ALDH1A1 877/4885
US-20160030445-A1 METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTIONAL MODULATORS WNT1, CTNNB1, CTNNBL1 PIK3CA 997/4885MTOR 1470/4885ALDH1A1 969/4885
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION DACH1, EZH1, CREBBP PIK3CA 3986/4885MTOR 4269/4885ALDH1A1 189/4885
US-11963968-B2 Treatment of hearing loss HES1, NOTCH1, NOTCH4 PIK3CA 240/4885MTOR 6/4885ALDH1A1 2645/4885

“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.