SCHEMBL6733344

SCHEMBL6733344

CCCNCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
TSHR P16473 2/20 0.54
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
POLB P06746 1/20 0.52
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP19A1 P11511 1/20 0.50
RECQL P46063 1/20 0.49
LMNA P02545 1/20 0.48
KDM1A O60341 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL5716402 0.87 KMT2A (0.58) KMT2AMAPTMEN1TSHRCYP2C19
SCHEMBL8781001 0.86 TSHR (0.53) KMT2AMAPTMEN1TSHRCYP2C19
Hydrochloric Acid SCHEMBL952234 0.86 KMT2A (0.57) KMT2AMAPTMEN1TSHRCYP2C19
SCHEMBL8174468 0.85 CYP2C19 (0.56) KMT2AMAPTMEN1TSHRCYP2C19
SCHEMBL10555759 0.85 TSHR (0.51) KMT2AMAPTMEN1TSHRCYP2C19
SCHEMBL2488263 0.84 TSHR (0.54) KMT2AMAPTMEN1TSHRCYP2C19
SCHEMBL3539853 0.84 KMT2A (0.52) KMT2AMAPTMEN1TSHRCYP2C19
Hydrochloric Acid SCHEMBL7601212 0.84 CYP2C19 (0.55) KMT2AMAPTMEN1TSHRCYP2C19
SCHEMBL13995480 0.84 KMT2A (0.52) KMT2AMAPTMEN1TSHRCYP2C19
SCHEMBL6675948 0.83 MEN1 (0.66) KMT2AMAPTMEN1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682950-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-06-20 US disclosed
US-9682950-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-06-20 US disclosed
US-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-06-02 US disclosed
US-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-06-02 US disclosed
US-9242957-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2016-01-26 US disclosed
US-9242957-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2016-01-26 US disclosed
US-20140256958-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-11 US disclosed
US-20140256958-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-11 US disclosed
US-8735606-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2014-05-27 US disclosed
US-8735606-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2014-05-27 US disclosed
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-03-06 US disclosed
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-03-06 US disclosed
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 KMT2A 4524/4885MAPT 3460/4885MEN1 2934/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 KMT2A 4524/4885MAPT 3460/4885MEN1 2934/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 KMT2A 4524/4885MAPT 3460/4885MEN1 2934/4885
US-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 KMT2A 1394/4885MAPT 606/4885MEN1 4547/4885
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 KMT2A 1323/4885MAPT 424/4885MEN1 4613/4885
US-20140256958-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 KMT2A 1323/4885MAPT 424/4885MEN1 4613/4885

“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.