SCHEMBL3225817

SCHEMBL3225817

C#C[CH]c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAOB P27338 3/20 0.36
PYCR1 P32322 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 1/20 0.35
MAOA P21397 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3230155 0.76 CYP2A6 (0.46) CYP2A6ALDH1A1RAB9AKDM4EMAOB
SCHEMBL3227313 0.76 NFE2L2 (0.42) MAOBMAOA
SCHEMBL3228392 0.76 ALDH5A1 (0.46) LMNAALDH1A1HPGDRAB9AKDM4E
SCHEMBL3227490 0.76 HSD17B10 (0.46) CYP2A6LMNAMAOB
SCHEMBL3222382 0.76 APP (0.44) ALDH1A1MAOBALOX15MAPK1MAOA
SCHEMBL334039 0.74
SCHEMBL3222406 0.74 ALDH1A1 (0.54) ALDH1A1MAOBPYCR1MAPK1MAOA
SCHEMBL7865937 0.72 RECQL (0.45) CYP2A6LMNAALDH1A1HPGDRAB9A
SCHEMBL14877351 0.72 ALDH1A1 (0.44) LMNAALDH1A1PYCR1MAPK1MAPT
SCHEMBL3227761 0.72 ALDH1A1 (0.44) CYP2A6LMNAALDH1A1KDM4EMAOB

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-115197037-A Preparation method of acrylamide and triazole-enamide alternating copolymer 大连理工大学 2022-10-18 CN disclosed
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 CYP2A6 953/4885LMNA 3402/4885ALDH1A1 1958/4885

“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.