SCHEMBL26534954

SCHEMBL26534954

O=C(CSc1nc2[nH]cnc2c(=O)[nH]1)Nc1nc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ ENPP1 P22413 1/20 0.58
▸ LMNA P02545 3/20 0.56
▸ TP53 P04637 3/20 0.56
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ USP2 O75604 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL13196814 0.78 MAPT (0.62) MAPTALDH1A1ENPP1LMNATP53
SCHEMBL20679588 0.74 ENPP1 (1.00) MAPTALDH1A1ENPP1LMNATP53
SCHEMBL21663585 0.74 ENPP1 (0.79) MAPTALDH1A1ENPP1LMNATP53
SCHEMBL30675573 0.74 ENPP1 (1.00) MAPTALDH1A1ENPP1LMNATP53
SCHEMBL7944975 0.74 MEN1 (0.74) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL5798106 0.73 TDP1 (0.60) MAPTALDH1A1LMNATP53RAB9A
SCHEMBL24846273 0.72 ENPP1 (0.68) MAPTALDH1A1ENPP1LMNATP53
SCHEMBL7933388 0.69 HDAC3 (0.71) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL2406227 0.69 MAPT (0.58) MAPTALDH1A1ENPP1LMNATP53
SCHEMBL2527359 0.69 MAPT (0.62) MAPTALDH1A1ENPP1LMNATP53

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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 — — 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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 MAPT 2330/4885ALDH1A1 4553/4885ENPP1 3218/4885

“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.

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