SCHEMBL1380931

SCHEMBL1380931

C=C(C(N)=O)c1ccoc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TRPA1 O75762 1/20 0.41
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.40
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
ALOX5 P09917 3/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
RECQL P46063 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL564791 0.81 MAPT (0.44) RAB9ANPC1TRPA1MAPTCYP3A4
Hydrochloric Acid SCHEMBL9261456 0.79 MAPT (0.43) RAB9ANPC1TRPA1MAPTCYP3A4
SCHEMBL3513898 0.79 PTPN1 (0.42) RAB9ANPC1TRPA1MAPTCYP3A4
SCHEMBL826974 0.78
SCHEMBL17269511 0.78
Hydrochloric Acid SCHEMBL28120372 0.76
SCHEMBL28094693 0.76
SCHEMBL1450228 0.74 PARP10 (0.39) MAPTCYP3A4RECQLCYP2C19KMT2A
SCHEMBL8865985 0.72 TRPA1 (0.39) RAB9ANPC1TRPA1MAPTCYP3A4
SCHEMBL8866037 0.72 TRPA1 (0.48) RAB9ANPC1TRPA1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4828407-B2 2011-11-30 JP claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO claimed
CN-110183422-B Nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2023-07-14 CN disclosed
CN-110386919-B Nuclear transport modulators and uses thereof 卡尔约药物治疗公司 2023-07-14 CN disclosed
US-11555036-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-01-17 US disclosed
US-20220348573-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-11-03 US disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 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 (2 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-20220348573-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF FGFR4, FGFR2, FGFR1 RAB9A 3592/4885NPC1 4196/4885TRPA1 4476/4885
US-11555036-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof FGFR4, FGFR2, FGFR1 RAB9A 3622/4885NPC1 4289/4885TRPA1 4497/4885

“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.