SCHEMBL4076480

SCHEMBL4076480

Nc1c(C(F)(F)F)ccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.68
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
HPGD P15428 3/20 0.68
MAPT P10636 2/20 0.68
GLA P06280 1/20 0.68
POLB P06746 1/20 0.68
GAA P10253 1/20 0.68
ATM Q13315 1/20 0.68
BACE1 P56817 1/20 0.46
TSHR P16473 2/20 0.44
CYP2A6 P11509 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL7258624 0.81 KDM4E (1.00) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5566472 0.81 KDM4E (1.00) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14122752 0.79 ALDH1A1 (0.58) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2513921 0.77 HSD17B10 (0.46) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1645664 0.75 ALDH1A1 (0.44) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9435264 0.75 CYP2A6 (0.54) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL17385581 0.75 HSD17B10 (0.44) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5249435 0.75 TSHR (0.54) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1644210 0.75 HSD17B10 (0.44) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7304753 0.75 HSD17B10 (0.59) HSD17B10ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340483-A Naphthyl pyrrolindione compound, preparation method and application thereof 南京吉星生物技术开发有限公司 2022-11-15 CN disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
US-6846953-B1 Aromatic amides WARNER LAMBERT COMPANY (US) 2005-01-25 US disclosed
EP-1178953-B1 AROMATIC AMIDES WARNER LAMBERT CO (US) 2003-12-03 EP disclosed
EP-1178953-A1 AROMATIC AMIDES WARNER-LAMBERT COMPANY (US) 2002-02-13 EP disclosed
WO-2000068184-A1 AROMATIC AMIDES WARNER-LAMBERT COMPANY (US) 2000-11-16 WO disclosed
US-4731450-A Process for perfluoroalkylation of aromatic derivatives RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-03-15 US disclosed
EP-0023584-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL NAPHTHALENES BAYER AG (DE) 1983-01-26 EP disclosed
US-4331613-A Process for the preparation of trifluoromethylnaphthalenes BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed
EP-0023584-A1 Process for the preparation of trifluoromethyl naphthalenes BAYER AG (DE) 1981-02-11 EP 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 HSD17B10 1357/4885ALDH1A1 1571/4885KDM4E 4479/4885

“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.