SCHEMBL6771665

SCHEMBL6771665

Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RORC P51449 5/20 0.50
MEN1 O00255 4/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
PPARG P37231 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL10953243 0.81 HSD17B10 (0.62) KMT2AMAPTKDM4ENPSR1RORC
SCHEMBL10333648 0.77 KMT2A (0.73) KMT2AMAPTKDM4ENPSR1RORC
SCHEMBL10729836 0.76 NPSR1 (0.68) KMT2AMAPTKDM4ENPSR1RORC
SCHEMBL398463 0.76 HSD17B10 (0.60) KMT2AMAPTKDM4ENPSR1RORC
SCHEMBL10902402 0.75 NPSR1 (0.71) KMT2AMAPTKDM4ENPSR1RORC
Methane SCHEMBL28180987 0.75 HSD17B10 (0.58) KMT2AMAPTKDM4ENPSR1RORC
SCHEMBL1803851 0.75 HSD17B10 (0.58) KMT2AMAPTKDM4ENPSR1RORC
SCHEMBL1762503 0.75 KMT2A (0.61) KMT2AMAPTKDM4ENPSR1RORC
SCHEMBL7593343 0.74 KMT2A (0.57) KMT2AMAPTKDM4ENPSR1RORC
SCHEMBL11362155 0.74 MAPT (0.67) KMT2AMAPTKDM4ENPSR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 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-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT KMT2A 926/4885MAPT 3311/4885KDM4E 936/4885

“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.