SCHEMBL24201852

SCHEMBL24201852

Cc1ccc2[nH]c(C)c(C#N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 7/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 3/20 0.44
NPC1 O15118 3/20 0.43
ACHE P22303 2/20 0.43
KIF11 P52732 1/20 0.43
POLB P06746 1/20 0.43
PDE9A O76083 2/20 0.43
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL10193365 0.85 KIF11 (0.48) HSD17B10SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL29679793 0.84 PLA2G1B (0.57) HSD17B10SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL23885374 0.84 PLA2G1B (0.57) HSD17B10SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL5838273 0.81 ALOX5 (0.53) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5838270 0.79 ALDH1A1 (0.59) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16382906 0.79 HPGD (0.53) HSD17B10SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL27416359 0.78 HTR7 (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3676401 0.76 AHR (0.57) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16923633 0.76 CHUK (0.57) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13174592 0.75 ALDH1A1 (0.56) HSD17B10SMN1; SMN2ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 HSD17B10 3238/4885SMN1; SMN2 4722/4885ALDH1A1 1752/4885

“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.