SCHEMBL1504016

SCHEMBL1504016

F[B-](F)(F)F.N#[N+]c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALOX5 P09917 1/20 0.34
MGLL Q99685 1/20 0.34
MAPT P10636 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
PNMT P11086 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MPI P34949 1/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL27637793 0.98 TSHR (0.35) TSHRALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL11574020 0.91
Hydrochloric Acid SCHEMBL5485232 0.89 TSHR (0.41) TSHRALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL9343117 0.84
SCHEMBL829628 0.78 TSHR (0.40) TSHRTP53CYP3A4
SCHEMBL1977804 0.77 ACHE (0.38) NPC1RAB9AMGLLTAAR1CYP3A4
SCHEMBL28431559 0.77 TSHR (0.50) TSHRALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL8849632 0.75 ACHE (0.44) TSHRALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL15404103 0.75 FAAH (0.33) MGLL
SCHEMBL31619881 0.75 FAAH (0.33) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121318-B Biheteroaromatic hydrocarbon compound and preparation method thereof 浙江工业大学 2022-04-26 CN claimed
CN-113121318-A Biheteroaromatic hydrocarbon compound and preparation method thereof 浙江工业大学 2021-07-16 CN claimed
CN-107935882-B Method for preparing trans-aromatic tertiary amine azo compound with high stereoselectivity 湖南理工学院 2020-11-13 CN claimed
CN-108069868-A A kind of method that organic amide class compound is prepared with aryldiazonium tetrafluoroborate and nitrile 湖南理工学院 2018-05-25 CN claimed
CN-120136899-A Azo/deuterated imidazothiazinone compound, synthetic method and application 新疆大学 2025-06-13 CN disclosed
CN-118221690-A Chromone pyridazine compound and synthetic method and application thereof 昆明理工大学 2024-06-21 CN disclosed
CN-115611816-A Method for efficiently preparing 5-aryl (hetero) ring modified uracil derivative 中国科学院化学研究所 2023-01-17 CN disclosed
CN-113121318-B Biheteroaromatic hydrocarbon compound and preparation method thereof 浙江工业大学 2022-04-26 CN disclosed
CN-113121318-A Biheteroaromatic hydrocarbon compound and preparation method thereof 浙江工业大学 2021-07-16 CN disclosed
CN-108069868-A A kind of method that organic amide class compound is prepared with aryldiazonium tetrafluoroborate and nitrile 湖南理工学院 2018-05-25 CN disclosed
CN-107935882-A A kind of method that highly-solid selectively prepares trans fragrant tertiary amine azo compound 湖南理工学院 2018-04-20 CN disclosed
CN-107602438-A A kind of arylazo tryptamine derivatives and preparation method thereof 福州大学 2018-01-19 CN disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
US-4035144-A Dyeing preparations containing boric acid for preparing water-insoluble azo dyestuffs on fiber HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed
US-3933423-A Azoic dyeing of leather E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 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 (3 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-20050020645-A1 Diamine derivatives C9, C1S, C1R TSHR 516/4885ALDH1A1 3319/4885SMN1; SMN2 473/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R TSHR 516/4885ALDH1A1 3319/4885SMN1; SMN2 473/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R TSHR 516/4885ALDH1A1 3319/4885SMN1; SMN2 473/4885

“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.