SCHEMBL6971828

SCHEMBL6971828

CNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 1/20 0.55
CES2 O00748 1/20 0.55
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
GPR35 Q9HC97 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
SCHEMBL6971823 0.85 FLT1 (0.58) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL1176899 0.83 CTSD (0.63) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL8866483 0.83 CYP3A4 (0.59) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL3114410 0.83 ALDH1A1 (0.55) CYP3A4MAPTMEN1KMT2ARAB9A
SCHEMBL7566341 0.82 MAPT (0.66) FLT1FLT4KDRMAPTKMT2A
SCHEMBL547498 0.82 KMT2A (0.51) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL3477681 0.82 MAPT (0.65) CYP3A4CYP2C19MAPTMEN1KMT2A
SCHEMBL1668405 0.82 L3MBTL1 (0.54) FLT1FLT4KDRCYP3A4CYP2C19
SCHEMBL17751109 0.82 MAPT (0.49) FLT1FLT4KDRCYP3A4MAPT
SCHEMBL2061565 0.82 TDP1 (0.66) CYP3A4MAPTMEN1KMT2AKDM4E

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-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 US disclosed
US-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP 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-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KRAS, NRAS, RASSF5 FLT1 4214/4885FLT4 4237/4885KDR 3567/4885

“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.