SCHEMBL24325919

SCHEMBL24325919

C=CCNC(CC=C)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 4/20 0.53
ALOX15 P16050 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP2C19 P33261 2/20 0.46
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
GRM7 Q14831 1/20 0.38

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
SCHEMBL6389932 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15
SCHEMBL3567880 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15
SCHEMBL11665011 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15
SCHEMBL3234142 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15
SCHEMBL11665013 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15
SCHEMBL15957077 0.82 SMN1; SMN2 (0.65) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL2322263 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15
SCHEMBL20843407 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL18553838 0.79 SMN1; SMN2 (0.45) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15
SCHEMBL185581 0.78 SMN1; SMN2 (0.61) SMN1; SMN2ATML3MBTL1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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 (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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SMN1; SMN2 4787/4885ATM 1874/4885L3MBTL1 3940/4885

“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.