SCHEMBL1789385

SCHEMBL1789385

O=C=NC(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ PPARG P37231 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ MTOR P42345 1/20 0.51
▸ PMP22 Q01453 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
SCHEMBL10354339 0.80 CES2 (0.52) KMT2AMEN1SMN1; SMN2CYP3A4MAPK1
SCHEMBL10953243 0.79 HSD17B10 (0.62) RORCKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL231222 0.77 KMT2A (0.63) RORCKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL398463 0.77 HSD17B10 (0.60) RORCKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1789120 0.76 KMT2A (0.75) RORCKMT2AMEN1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6202524 0.76 KMT2A (0.61) RORCKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6392429 0.76 KMT2A (0.61) RORCKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1762503 0.76 KMT2A (0.61) RORCKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6392416 0.76 HSD17B10 (0.58) RORCKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8450902 0.76 KMT2A (0.61) RORCKMT2AMEN1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-08-08 — — US disclosed
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 — — EP disclosed
US-20120115845-A1 THERAPEUTIC AGENTS ALLEN JACK MCQUEEN (GB) 2012-05-10 — — US disclosed
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-05-26 — — US disclosed
CN-101883762-A Benzothiazoles as modulators of growth hormone releasing hormone receptors ASTRAZENECA AB 2010-11-10 — — CN disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 — — EP disclosed
US-20090186870-A1 Therapeutic Agents - 802 ASTRAZENECA AB (SE) 2009-07-23 — — US disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 — — 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 (4 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-20130203730-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R RORC 882/4885KMT2A 1721/4885MEN1 2250/4885
US-20120115845-A1 THERAPEUTIC AGENTS GPR119, MC2R, MC4R RORC 1687/4885KMT2A 3139/4885MEN1 692/4885
US-20090186870-A1 Therapeutic Agents - 802 GPR119, SLC5A2, MC2R RORC 1595/4885KMT2A 2304/4885MEN1 1253/4885
US-20110124621-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS GPR119, GHSR, GLP1R RORC 882/4885KMT2A 1721/4885MEN1 2250/4885

“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.

Send feedback