SCHEMBL16618597

SCHEMBL16618597

C=CC(=O)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
PTPN1 P18031 3/20 0.57
ACKR3 P25106 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX5 P09917 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL2065774 0.84 PTPN1 (0.61) ALDH1A1PTPN1ACKR3CYP2D6CYP2C9
SCHEMBL732581 0.83 TGM2 (0.61) ALDH1A1CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL4903618 0.82 TGM2 (0.61) ALDH1A1PTPN1CYP2C9CYP2C19MAPT
SCHEMBL4582840 0.82 PTPN1 (0.63) ALDH1A1PTPN1ACKR3CYP2D6CYP2C9
SCHEMBL4808309 0.81 PTPN1 (0.61) ALDH1A1PTPN1ACKR3CYP2D6CYP2C9
SCHEMBL30791550 0.81 PTPN1 (0.61) ALDH1A1PTPN1ACKR3CYP2D6CYP2C9
SCHEMBL951041 0.81 PTPN1 (0.61) ALDH1A1PTPN1ACKR3CYP2D6CYP2C9
SCHEMBL9540198 0.81 PTPN1 (0.58) ALDH1A1PTPN1ACKR3CYP2D6CYP2C9
SCHEMBL7462472 0.79 PTPN1 (0.60) ALDH1A1PTPN1ACKR3CYP2D6CYP2C9
SCHEMBL16594594 0.79 PTPN1 (0.56) ALDH1A1PTPN1ACKR3CYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160214963-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Beyond Oncology Pharmaceutical LLC (US) 2016-07-28 US disclosed
US-20160214963-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Beyond Oncology Pharmaceutical LLC (US) 2016-07-28 US disclosed
US-20160214963-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Beyond Oncology Pharmaceutical LLC (US) 2016-07-28 US disclosed
WO-2015050703-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHEN YI (US) 2015-04-09 WO disclosed
WO-2015050703-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHEN YI (US) 2015-04-09 WO 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-20160214963-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK ALDH1A1 3076/4885PTPN1 127/4885ACKR3 1421/4885

“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.