SCHEMBL3056776

SCHEMBL3056776

C[Si](C)(C)C#Cc1cccc(F)c1C=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.35
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ERN1 O75460 1/20 0.33
NFE2L2 Q16236 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNH2 Q12809 2/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL3059913 0.91 MAOB (0.34) CREBBP
SCHEMBL6516855 0.88 CREBBP (0.39) CREBBPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL3994553 0.83 HTT (0.35) CREBBPMAPTERN1
SCHEMBL4720705 0.81 ERN1 (0.36) MEN1ALDH1A1KMT2AKDM4ECYP3A4
SCHEMBL31562390 0.80 CREBBP (0.35) CREBBPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL22721439 0.80 ALDH1A1 (0.52) CREBBPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL22721570 0.79 ABCG2 (0.38) MEN1ALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL24650244 0.78 ERN1 (0.34) MEN1ALDH1A1KMT2AERN1NFE2L2
SCHEMBL31562726 0.78 KDM4E (0.35) CREBBPMEN1ALDH1A1KMT2AKDM4E
SCHEMBL31736077 0.77 KDM4E (0.37) CREBBPMEN1ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174289-B Benzotriazole derivatives UBE株式会社 2025-03-07 CN disclosed
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2022-08-18 US disclosed
CN-114174289-A Benzotriazole derivatives 宇部兴产株式会社 2022-03-11 CN disclosed
WO-2020241853-A1 BENZOTRIAZOLE DERIVATIVE 宇部興産株式会社 2020-12-03 WO disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-8476297-B2 TRP-M8 receptor ligands and their use in treatments AMGEN INC. (US) 2013-07-02 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
US-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2010-10-14 US disclosed
WO-2009073203-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2009-06-11 WO disclosed
WO-2009073203-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2009-06-11 WO disclosed
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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 (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-20100261728-A1 TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPM8, TRPV2 CREBBP 3458/4885MEN1 2835/4885ALDH1A1 3439/4885
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 CREBBP 1342/4885MEN1 4770/4885ALDH1A1 1267/4885
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE KEAP1, NFE2L2, BACH1 CREBBP 11/4885MEN1 3589/4885ALDH1A1 301/4885

“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.