SCHEMBL22263103

SCHEMBL22263103

Clc1ccccc1CCN1CN=C(SCc2ccccc2)NC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ CTSB P07858 1/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GAA P10253 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL31396442 0.91 KMT2A (0.53) KMT2ALMNAKCNH2GAADAO
SCHEMBL20920832 0.91 KMT2A (0.53) KMT2ALMNAKCNH2GAADAO
SCHEMBL22263183 0.84 ALDH1A1 (0.53) KMT2ALMNAKCNH2ALDH1A1CYP2C19
SCHEMBL22275730 0.83 ALDH1A1 (0.51) KMT2ALMNAALDH1A1CYP2C19GAA
SCHEMBL30130108 0.82 KMT2A (0.45) KMT2ALMNAKCNH2GAADAO
SCHEMBL20932660 0.82 KMT2A (0.45) KMT2ALMNAKCNH2GAADAO
SCHEMBL30130190 0.81 TSHR (0.43) KMT2ALMNAKCNH2ALDH1A1GAA
SCHEMBL20932772 0.81 TSHR (0.43) KMT2ALMNAKCNH2ALDH1A1GAA
SCHEMBL22263114 0.81 CYP1A2 (0.43) KMT2ALMNAKCNH2ALDH1A1CYP2C19
SCHEMBL22263137 0.80 MAPK1 (0.50) KMT2ALMNAALDH1A1CYP2C19GAA

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-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — 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-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 KMT2A 800/4885LMNA 4867/4885KCNH2 2564/4885

“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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