SCHEMBL4870477

SCHEMBL4870477

O=[N+]([O-])c1ccc2c(c1)sc1cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HIF1A Q16665 1/20 0.44
HSPB1 P04792 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
USP2 O75604 1/20 0.43
PDK1 Q15118 1/20 0.43
PHOSPHO1 Q8TCT1 1/20 0.42
ATM Q13315 1/20 0.42
FSCN1 Q16658 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
SCHEMBL749155 0.89 CRHBP (0.53) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL11714259 0.83 HSPB1 (0.47) CRHBPCRHR2MEN1PKMKMT2A
SCHEMBL3083218 0.81 MAPT (0.55) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL12055674 0.78 CRHBP (0.50) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL3085696 0.76 HPGD (0.46) CRHBPCRHR2MEN1PKMKMT2A
SCHEMBL17037126 0.75 CRHBP (0.47) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL30166127 0.75 APP (0.53) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL11118149 0.74 SMN1; SMN2 (0.50) CRHBPCRHR2ALDH1A1SMN1; SMN2TDP1
SCHEMBL1565345 0.73 TDP1 (0.47) CRHBPCRHR2MEN1PKMKMT2A
SCHEMBL2436528 0.73 ALDH1A1 (0.49) CRHBPCRHR2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070963-A1 Compositions and methods for promoting neural regeneration Neuberger, Timothy 2008-03-20 US disclosed
US-7271187-B2 Compositions and methods for promoting tissue regeneration Neuberger, Tim (US) 2007-09-18 US disclosed
US-20020055530-A1 Compositions and methods for promoting tissue regeneration URI HERZBERG 2002-05-09 US disclosed
WO-2001076592-A1 COMPOSITIONS AND METHODS FOR PROMOTING NEURAL REGENERATION ACORDA THERAPEUTICS, INC. (US) 2001-10-18 WO disclosed
US-4965284-A IMMUNOMODULATORS AMERICAN CYANAMID COMPANY (US) 1990-10-23 US disclosed
EP-0342433-A2 Substituted dibenzothiaphenes AMERICAN CYANAMID COMPANY (US) 1989-11-23 EP 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-20020055530-A1 Compositions and methods for promoting tissue regeneration TST, DCX, GAP43 CRHBP 4066/4885CRHR2 4515/4885MEN1 4760/4885
US-20080070963-A1 Compositions and methods for promoting neural regeneration GAP43, DCX, BDNF CRHBP 4148/4885CRHR2 4492/4885MEN1 4720/4885

“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.