SCHEMBL6104530

SCHEMBL6104530

O=[N+]([O-])c1cccc(OCCCn2ccnc2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NOS1 P29475 1/20 0.59
HMOX2 P30519 1/20 0.59
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.55

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
SCHEMBL7472307 0.94 TBXAS1 (0.61) KMT2AALDH1A1NPSR1NOS1HMOX2
SCHEMBL6642525 0.85 QPCT (0.64) KMT2ANOS1POLBKDM4ELMNA
SCHEMBL19925993 0.81 NOS1 (0.65) KMT2ANOS1KDM4ELMNA
SCHEMBL10476933 0.80 NOS1 (0.66) KMT2ANOS1KDM4ELMNA
SCHEMBL14419361 0.79 HTT (0.70) KMT2AALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL15075252 0.78 KMT2A (1.00) KMT2AALDH1A1NPSR1NOS1HMOX2
SCHEMBL1927388 0.78 KMT2A (0.71) KMT2AALDH1A1NPSR1NOS1HMOX2
SCHEMBL76423 0.78 KMT2A (0.64) KMT2AALDH1A1NOS1KDM4ELMNA
SCHEMBL19925859 0.78 NOS1 (0.61) KMT2AALDH1A1NOS1KDM4ELMNA
SCHEMBL4040630 0.78 ALDH1A1 (0.64) KMT2AALDH1A1SMN1; SMN2CYP1A2CYP3A4

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-7125875-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 US disclosed
US-20040054186-A1 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-18 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-20040054186-A1 Cyclic protein tyrosine kinase inhibitors LCK, ABL1, BTK KMT2A 2250/4885ALDH1A1 4758/4885NPSR1 4069/4885

“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.