SCHEMBL2843497

SCHEMBL2843497

O=C(O)NC1Cc2cc(Br)cc([N+](=O)[O-])c2NC1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.34
PYGL P06737 2/20 0.33
PYGM P11217 2/20 0.33
AKR1B1 P15121 1/20 0.33
S100A4 P26447 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
FBP1 P09467 1/20 0.32
ERN1 O75460 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL2843494 1.00 GPR35 (0.34) GPR35PYGLPYGMAKR1B1S100A4
SCHEMBL2840941 0.89 ALDH1A1 (0.33) GPR35PYGLPYGMAKR1B1S100A4
SCHEMBL2838101 0.85 GAA (0.40) AKR1B1MAPT
SCHEMBL7346699 0.83 ERN1 (0.36) AKR1B1S100A4TRPV1ERN1MEN1
SCHEMBL27798348 0.81 ALOX5 (0.34) GPR35MAPT
SCHEMBL7344187 0.80 AKR1B1 (0.34) GPR35AKR1B1FBP1ERN1HTR2A
SCHEMBL7349533 0.77 AKR1B1 (0.37) GPR35AKR1B1S100A4TRPV1ERN1
SCHEMBL14550752 0.77 AKR1B1 (0.37) GPR35AKR1B1S100A4TRPV1ERN1
Hydrochloric Acid SCHEMBL2839862 0.76 AKR1B1 (0.36) GPR35AKR1B1S100A4TRPV1ERN1
SCHEMBL15681090 0.75 PSMB11 (0.32) PYGLPYGMKDM4EALDH1A1MAPT

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
EP-2241564-B1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARM CO LTD (JP) 2014-04-30 EP disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
EP-2241564-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2010-10-20 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-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE MC2R, GHRHR, REN GPR35 1279/4885PYGL 302/4885PYGM 305/4885
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE GHSR, GHRHR, GNRHR GPR35 184/4885PYGL 1140/4885PYGM 227/4885

“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.