SCHEMBL21851995

SCHEMBL21851995

O=C(NCCN1C(=O)c2ccccc2C1=O)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 2/20 0.58
EPHX2 P34913 3/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 1/20 0.55
THRB P10828 1/20 0.55
ALDH1A1 P00352 2/20 0.54
GRM5 P41594 1/20 0.54
TSHR P16473 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.51
NAMPT P43490 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
SCHEMBL25328235 0.80 THRB (0.77) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9339184 0.78 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL17822214 0.77 EPHX2 (0.75) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL9809561 0.77 RAB9A (0.76) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL25214421 0.76 POLB (0.78) KMT2AMEN1GAATHRBALDH1A1
SCHEMBL1609678 0.76 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2NPC1RAB9AGAA
SCHEMBL15477410 0.76 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31722013 0.75 HTR1A (0.58) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL62572 0.75 THRB (0.75) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1388180 0.75 THRB (0.70) KMT2ASMN1; SMN2NPC1RAB9AMEN1

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-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same CITY OF HOPE (US) 2022-05-10 US disclosed
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME CITY OF HOPE 2020-03-19 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 (2 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-11324731-B2 TXNIP-TRX complex inhibitors and methods of using the same TXN, TXN2, TXNRD3 KMT2A 3189/4885SMN1; SMN2 3405/4885NPC1 3649/4885
US-20200085800-A1 TXNIP-TRX COMPLEX INHIBITORS AND METHODS OF USING THE SAME TXN, TXN2, TXNRD3 KMT2A 3189/4885SMN1; SMN2 3405/4885NPC1 3649/4885

“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.