SCHEMBL2963119

SCHEMBL2963119

O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCC(O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 1.00
MAPT P10636 6/20 0.74
ALDH1A1 P00352 3/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
SERPINE1 P05121 1/20 0.49
RAB9A P51151 1/20 0.49
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
IDH2 P48735 3/20 0.47

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
SCHEMBL31587775 1.00 LMNA (1.00) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL23851433 1.00 LMNA (1.00) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2963116 1.00 LMNA (1.00) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL31587400 1.00 LMNA (1.00) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL23850852 0.93 LMNA (0.86) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL23850855 0.93 LMNA (0.86) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL31587201 0.93 LMNA (0.86) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL23850558 0.87 LMNA (0.77) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL31587982 0.87 LMNA (0.77) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL23851422 0.87 LMNA (0.77) LMNAMAPTALDH1A1MEN1KMT2A

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
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
CN-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 US disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 EP disclosed
CN-113056305-A Compound (I) 格雷沃尔夫治疗有限公司 2021-06-29 CN disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 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 (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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 LMNA 1665/4885MAPT 4468/4885ALDH1A1 870/4885
US-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 LMNA 2596/4885MAPT 4705/4885ALDH1A1 2613/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR LMNA 2582/4885MAPT 302/4885ALDH1A1 276/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 LMNA 1665/4885MAPT 4468/4885ALDH1A1 870/4885

“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.