SCHEMBL24534737

SCHEMBL24534737

Clc1ccccc1Cn1cccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
LMNA P02545 3/20 0.69
HTT P42858 3/20 0.69
RAB9A P51151 2/20 0.69
SIGMAR1 Q99720 1/20 0.50
CYP2A13 Q16696 2/20 0.48
PNMT P11086 1/20 0.48
IDO1 P14902 1/20 0.48
MAP3K14 Q99558 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
CXCR4 P61073 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL28123863 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHTTRAB9ASIGMAR1
SCHEMBL6965526 0.77 CYP19A1 (0.70) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL28178599 0.74 RAB9A (0.68) SMN1; SMN2LMNAHTTRAB9ACYP2A13
SCHEMBL30364150 0.74 GAA (0.50) SMN1; SMN2LMNAHTTRAB9ASIGMAR1
SCHEMBL2202098 0.74 GAA (0.50) SMN1; SMN2LMNAHTTRAB9ASIGMAR1
SCHEMBL28003319 0.74 POLB (0.69) SMN1; SMN2LMNASIGMAR1CYP2A13MAP3K14
SCHEMBL10500678 0.73 ALDH1A1 (0.52) LMNACYP2A13IDO1KDM4EALDH1A1
SCHEMBL11482473 0.73 KDM4E (0.41) SMN1; SMN2LMNAHTTRAB9ASIGMAR1
SCHEMBL11360607 0.73 SIGMAR1 (0.85) SMN1; SMN2LMNAHTTRAB9ASIGMAR1
SCHEMBL27383724 0.73 CYP11B1 (0.61) SMN1; SMN2LMNAHTTRAB9ACYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108358923-A Sophoridine pyrroles, indole derivatives and the preparation method and application thereof 广西大学 2018-08-03 CN claimed
US-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT Yonsei University, University - Industry Foundation (UIF) (KR) 2022-06-23 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 (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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT EPX, CFTR, MPO SMN1; SMN2 1363/4885LMNA 393/4885HTT 2494/4885

“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.