SCHEMBL31125137

SCHEMBL31125137

N#Cc1ccc(NC(=O)Nc2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CNR1 P21554 3/20 0.52
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.45
▸ UBA2 Q9UBT2 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ IL18 Q14116 1/20 0.45
▸ NSD2 O96028 1/20 0.45

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
SCHEMBL22167182 0.88 MGLL (0.54) MAPTMEN1KMT2AALDH1A1CNR1
SCHEMBL15094758 0.82 RXFP1 (0.48) —
SCHEMBL9314587 0.79 MGLL (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL15095046 0.78 MAPT (0.41) MAPTMEN1KMT2ASMN1; SMN2KDM4E
Acitazanolast SCHEMBL3116621 0.78 GPR35 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9573406 0.77 MAPT (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6694019 0.77 MAPT (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20867664 0.77 SMN1; SMN2 (0.52) MAPTKMT2AALDH1A1CNR1SMN1; SMN2
Acitazanolast SCHEMBL342549 0.76 GPR35 (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4554995 0.76 BRAF (0.61) KDRBLMCA1CA2CA9

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-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-09-26 — — 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-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 MAPT 2167/4885MEN1 4220/4885KMT2A 3139/4885

“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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