SCHEMBL12722482

SCHEMBL12722482

CCc1csc(C(=O)N(C)Cc2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LIN28A Q9H9Z2 1/20 0.41
▸ HPGD P15428 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
SCHEMBL14625553 0.85 NPC1 (0.46) NTRK1HDAC4HDAC6TDP1KDM4E
SCHEMBL12529297 0.81 HDAC4 (0.43) NTRK1HDAC4HDAC6TSHRTDP1
SCHEMBL12529776 0.79 USP2 (0.48) HDAC4HDAC6RAB9AMEN1LMNA
SCHEMBL12529816 0.79 ALDH1A1 (0.60) NTRK1TSHRKDM4ERAB9ANPC1
SCHEMBL12315033 0.79 NPC1 (0.46) NTRK1HDAC4HDAC6RAB9ANPC1
SCHEMBL4962103 0.78 ALDH1A1 (0.59) NTRK1TSHRKDM4ERAB9ANPC1
SCHEMBL31098476 0.77 NPC1 (0.53) TDP1KDM4ERAB9ANPC1LMNA
SCHEMBL13211426 0.74 KMT2A (0.51) HDAC6TSHRTDP1KDM4ERAB9A
SCHEMBL12529308 0.73 NPC1 (0.44) NTRK1HDAC4HDAC6TSHRRAB9A
SCHEMBL12265892 0.72 HDAC3 (0.43) NTRK1HDAC4HDAC6RAB9ANPC1

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-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-04-21 — — 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-20110092496-A1 THIOPHENE COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS TEK, MPL, THPO NTRK1 266/4885HDAC4 3476/4885HDAC6 3330/4885

“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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