SCHEMBL6019366

SCHEMBL6019366

O=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
TP53 P04637 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MITF O75030 1/20 0.55
CYP19A1 P11511 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL931628 0.88 NHERF1 (0.52) POLBTP53NPC1RAB9ALMNA
SCHEMBL23258734 0.85 NHERF1 (0.55) POLBTP53NPC1RAB9ALMNA
SCHEMBL28081980 0.84 TP53 (0.69) POLBTP53NPC1RAB9ALMNA
SCHEMBL23258395 0.83 MEN1 (0.57) POLBTP53NPC1RAB9ASMN1; SMN2
SCHEMBL23258271 0.83 MEN1 (0.65) POLBTP53RAB9AMEN1KMT2A
SCHEMBL28082015 0.83 MAOA (0.59) POLBTP53NPC1RAB9ALMNA
SCHEMBL28081963 0.82 NPC1 (0.60) TP53NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28081990 0.81 KDM4E (0.63) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL12501305 0.81 HRH4 (0.58) POLBTP53LMNAMEN1KMT2A
SCHEMBL6245500 0.81 KDM4E (0.57) POLBLMNAMEN1KMT2ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820104-B A kind of indoles -2- amides compound with anti-inflammatory effect and its application in preparing anti-inflammatory drugs 温州医科大学 2018-12-11 CN disclosed
CN-105820104-A Indole-2-acetamide compound with anti-inflammatory effect, and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2016-08-03 CN disclosed
US-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases BAYER HEALTHCARE AG (DE) 2006-08-17 US disclosed
US-7045544-B2 Substituted 2,5-diamidoindoles as ECE inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2006-05-16 US disclosed
EP-1578418-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES Bayer HealthCare AG (DE) 2005-09-28 EP disclosed
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2005-02-17 US disclosed
WO-2004056768-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2004-07-08 WO disclosed
WO-2004056768-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2004-07-08 WO disclosed
WO-2003028719-A1 SUBSTITUTED 2,5-DIAMIDOINDOLES AS ECE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2003-04-10 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 (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-20060183753-A1 Use of substituted 2,5-diamidoindoles for the treatment of urological diseases DCK, UROD, QDPR POLB 4030/4885TP53 1697/4885NPC1 3391/4885
US-20050038101-A1 Substituted 2 5-diamidoindoles as ece inhibitors for the treatment of cardiovascular diseases ECE1, ECE2, EDNRA POLB 3892/4885TP53 4414/4885NPC1 2903/4885

“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.