SCHEMBL5209552

SCHEMBL5209552

Cc1cc(Cl)c2c([N+](=O)[O-])cnc(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
CRHR1 P34998 10/20 0.46
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
GFER P55789 1/20 0.40
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
S1PR4 O95977 2/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
PIM3 Q86V86 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL5203919 0.81 CRHR1 (0.51) CRHR1
SCHEMBL5205630 0.79 MAPT (0.37) CRHR1MAPK1MAPTGFERNPC1
SCHEMBL5206955 0.70 CRHR1 (0.62) CRHR1MAPTNPC1HSP90AA1HSP90AB1
SCHEMBL5094069 0.69 MAPK1 (0.57) HSD11B1MAPK1TSHRMAPTHPGD
SCHEMBL5557979 0.67 TSHR (0.54) HSD11B1MAPK1TSHRMAPTHPGD
SCHEMBL9069976 0.66 ALDH1A1 (0.57) CRHR1MAPK1TSHRMAPTGFER
SCHEMBL10771873 0.66 MAPK1 (0.53) HSD11B1MAPK1TSHRMAPTHPGD
SCHEMBL3367380 0.66 HSD11B1 (0.44) HSD11B1MAPK1TSHRMAPTHPGD
SCHEMBL12391630 0.66 TSHR (0.46) MAPK1TSHRMAPTLMNARAB9A
SCHEMBL4672956 0.65 S1PR4 (0.42) HSD11B1MAPK1TSHRMAPTHPGD

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
EP-1341793-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2007-01-17 EP disclosed
US-20040266799-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-30 US disclosed
US-6747034-B2 CORTICOTROPIN-RELEASING FACTOR (CRF); SUCH AS 4-CHLORO-2-METHYL-5-NITRO-8-(2,4-DICHLORO)PHENYL-1,7-NAPHTHYRIDINE FOR TREATING STROKE, ANXIETY, DEPRESSION, AND/OR IRRITABLE BOWEL SYNDROME NEUROCRINE BIOSCIENCES, INC. 2004-06-08 US disclosed
US-20020151557-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC 2002-10-17 US 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 (2 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-20040266799-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 HSD11B1 1535/4885CRHR1 1/4885MAPK1 3134/4885
US-20020151557-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 HSD11B1 1535/4885CRHR1 1/4885MAPK1 3134/4885

“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.