SCHEMBL10073980

SCHEMBL10073980

Bc1cccc(/C(N)=N/C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.37
▸ GRIN2B Q13224 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ KDM1A O60341 4/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL17354740 0.78 F2 (0.53) FURINNOS1RAB9ATDP1NPC1
SCHEMBL12255426 0.76 C1S (0.57) PARP1L3MBTL1SMN1; SMN2
SCHEMBL14031335 0.73 KMT2A (0.56) GRIN2BPARP1NOS1RAB9ATDP1
SCHEMBL3645454 0.73 KMT2A (0.56) GRIN2BPARP1NOS1RAB9ATDP1
SCHEMBL10283720 0.72 PARP1 (0.59) PARP1TDP1L3MBTL1
SCHEMBL13300965 0.72 PRSS1 (0.57) NOS1PKMF2PLG
Hydrochloric Acid SCHEMBL10888722 0.72 KMT2A (0.54) GRIN2BPARP1NOS1RAB9ATDP1
Water SCHEMBL27774670 0.71 PARP1 (0.57) PARP1TDP1L3MBTL1
SCHEMBL25070099 0.68 F10 (0.47) GRIN2BPARP1HDAC8
SCHEMBL8117427 0.68 ALDH1A1 (0.50) RAB9ATDP1NPC1HTTSMN1; SMN2

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
US-8093274-B2 Inhibitors of protein prenyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-10 — — US disclosed
US-20100063114-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-11 — — 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-20100063114-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES GGT1, FNTA, FNTB FURIN 1885/4885GRIN2B 4735/4885PARP1 1896/4885

“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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