SCHEMBL4780146

SCHEMBL4780146

N#Cc1cc(F)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.46
ADORA2A P29274 2/20 0.46
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SQOR Q9Y6N5 1/20 0.43
ESR2 Q92731 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GALR3 O60755 1/20 0.42
GAA P10253 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
AR P10275 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL1463109 0.85 KDM4E (0.46) ADORA1ADORA2ACYP19A1MEN1KMT2A
SCHEMBL21116203 0.83 USP8 (0.42) GSK3AGSK3B
SCHEMBL20114501 0.83 ADORA1 (0.46) ADORA1ADORA2AMEN1KMT2ASQOR
SCHEMBL21022649 0.82 ESR2 (0.44) ADORA1ADORA2AESR2AR
SCHEMBL20843322 0.82 ADORA1 (0.45) ADORA1ADORA2AMEN1KMT2ASQOR
SCHEMBL15420921 0.81 ESR2 (0.58) CYP19A1ESR2GSK3AGSK3BAR
SCHEMBL9374553 0.81 AR (0.46) SQORALDH1A1KDM4EGAAGSK3A
SCHEMBL2649762 0.81 GRM5 (0.41) ADORA1ADORA2ANPSR1KDM4EHPGD
SCHEMBL2650791 0.81 KDM4E (0.43) ADORA1ADORA2AMEN1KMT2ANPSR1
SCHEMBL24927807 0.81 CYP11B1 (0.44) ADORA1ADORA2ASQORNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP claimed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US claimed
CN-114560790-B Biphenyl-2-nitrile compound and preparation method thereof 赣南师范大学 2024-02-20 CN disclosed
CN-114560790-A Biphenyl-2-nitrile compound and preparation method thereof 赣南师范大学 2022-05-31 CN disclosed
US-11124521-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-09-21 US disclosed
US-20190315760-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMNITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-10-17 US disclosed
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US disclosed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP disclosed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO disclosed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 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-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R ADORA1 317/4885ADORA2A 194/4885CYP19A1 205/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R ADORA1 317/4885ADORA2A 194/4885CYP19A1 205/4885
US-11124521-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, CCNT1 ADORA1 4034/4885ADORA2A 4646/4885CYP19A1 48/4885
US-20190315760-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMNITTING DEVICE INCLUDING THE SAME CCNT1, CRY1, CCNT2 ADORA1 4248/4885ADORA2A 4657/4885CYP19A1 289/4885

“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.