SCHEMBL3305095

SCHEMBL3305095

Cc1c(N=[N])cccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.47
GPR35 Q9HC97 1/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
PLAU P00749 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL18887676 0.83 TDP1 (0.67) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8222001 0.81 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL2374739 0.80 PLAU (0.58) TDP1TSHRALDH1A1HSD17B10KMT2A
SCHEMBL13019646 0.80 TDP1 (0.62) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL472112 0.80 TDP1 (1.00) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7784505 0.79 GPR35 (0.53) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3837781 0.79 CYP3A4 (0.63) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7119559 0.77 TDP1 (0.58) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL28032029 0.77 TDP1 (0.58) TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9550119 0.74 TDP1 (0.78) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2018-11-01 US disclosed
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2015-01-29 US disclosed
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss CASCADE ESTATE LTD. (MU) 2013-10-03 US disclosed
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM SUPPORTIVE THERAPEUTICS AG (CH) 2012-08-02 US disclosed
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2010-04-15 US disclosed
EP-2134347-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS Prendergast, Patrick T. (AU) 2009-12-23 EP disclosed
US-20090156546-A1 Compositions and methods for modulating the immune system SUPPORTIVE THERAPEUTICS AG (CH) 2009-06-18 US disclosed
EP-2026810-A2 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM Prendergast, Patrick T. (AU) 2009-02-25 EP disclosed
WO-2008110585-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS PRENDERGAST PATRICK T (AU) 2008-09-18 WO disclosed
WO-2007131973-A2 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM PRENDERGAST PATRICK T (AU) 2007-11-22 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 (6 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-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 TDP1 1133/4885TSHR 3104/4885SMN1; SMN2 254/4885
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS MTAP, TPMT, MUC1 TDP1 957/4885TSHR 3566/4885SMN1; SMN2 4149/4885
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 TDP1 1133/4885TSHR 3104/4885SMN1; SMN2 254/4885
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss SI, MTPN, MUC1 TDP1 1133/4885TSHR 3104/4885SMN1; SMN2 254/4885
US-20090156546-A1 Compositions and methods for modulating the immune system MRE11, XPA, MPL TDP1 495/4885TSHR 3108/4885SMN1; SMN2 4208/4885
US-20120196825-A1 COMPOSITIONS AND METHODS FOR MODULATING THE IMMUNE SYSTEM MRE11, XPA, MPL TDP1 495/4885TSHR 3108/4885SMN1; SMN2 4208/4885

“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.