SCHEMBL4447987

SCHEMBL4447987

Nc1cc(F)c(N)c(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOA P21397 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
IKBKE Q14164 1/20 0.38
PKMYT1 Q99640 1/20 0.38
BACE1 P56817 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 2/20 0.36
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL29973116 1.00 HSD17B10 (0.41) HSD17B10ALDH1A1MAOATAAR1TDP1
SCHEMBL24254882 0.84 HSD17B10 (0.50) HSD17B10ALDH1A1MAOATAAR1TDP1
SCHEMBL2834500 0.83 IKBKB (0.49) HSD17B10ALDH1A1MAOATAAR1TDP1
SCHEMBL28106449 0.83 METAP2 (0.42) HSD17B10ALDH1A1MAOATAAR1SMARCA2
SCHEMBL27907556 0.83 HSD17B10 (0.41) HSD17B10ALDH1A1MAOATAAR1TDP1
SCHEMBL6574554 0.80 RPS6KA3 (0.46) HSD17B10ALDH1A1MAOASMARCA2SMARCA4
SCHEMBL18582910 0.80 NUDT1 (0.45) HSD17B10ALDH1A1SMARCA2SMARCA4PBRM1
SCHEMBL28466437 0.79 HSD17B10 (0.41) HSD17B10ALDH1A1MAOATAAR1TDP1
SCHEMBL2912921 0.79 SMARCA2 (0.42) HSD17B10ALDH1A1MAOATAAR1TDP1
SCHEMBL30413647 0.79 HSD17B10 (0.41) HSD17B10ALDH1A1MAOATAAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428149-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2021-07-28 EP disclosed
EP-3428149-A2 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-01-16 EP disclosed
US-20150071977-A1 Delivery Particle PROCTER & GAMBLE (US) 2015-03-12 US disclosed
EP-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP disclosed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 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 (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-20150071977-A1 Delivery Particle LIPA, CHMP4B, SLC46A1 HSD17B10 859/4885ALDH1A1 1476/4885MAOA 259/4885

“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.