SCHEMBL20201236

SCHEMBL20201236

COc1ccc(-n2cccc2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 3/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
ALOX15 P16050 1/20 0.57
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
CYP3A4 P08684 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL28178665 0.82 CYP1A2 (0.51) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL2094826 0.79 ALDH1A1 (0.43) ALDH1A1MAPTRAB9ASMN1; SMN2HSD17B10
SCHEMBL30168174 0.78 CYP11B1 (0.57) ALDH1A1MAPTRAB9ASMN1; SMN2HSD17B10
SCHEMBL20201237 0.78 ALDH1A1 (0.42) ALDH1A1MAPTRAB9ASMN1; SMN2HSD17B10
SCHEMBL28034614 0.76 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL9042497 0.76 P2RX7 (0.42) ALDH1A1MAPTSMN1; SMN2HSD17B10ALOX15
SCHEMBL8195797 0.75 NOTUM (0.53) ALDH1A1MAPTRAB9ASMN1; SMN2HSD17B10
SCHEMBL9042829 0.75 PKM (0.45) ALDH1A1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL2006792 0.74 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2HSD17B10CYP3A4
SCHEMBL10399962 0.73 BIRC5 (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
CN-113200983-A Compound with pyrrolopyridine structure, preparation method and medical application 中国药科大学 2021-08-03 CN disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 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-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 ALDH1A1 495/4885MAPT 3005/4885RAB9A 2766/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 ALDH1A1 495/4885MAPT 3005/4885RAB9A 2766/4885

“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.