SCHEMBL6735256

SCHEMBL6735256

CCOC(=O)c1cnc2c([N+](=O)[O-])cc(CBr)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.42
CCR6 P51684 2/20 0.42
LMNA P02545 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
XBP1 P17861 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
DPP4 P27487 6/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL6732648 0.86 ALDH1A1 (0.50) ALDH1A1HPGDPOLBCCR6LMNA
SCHEMBL926032 0.84 ALDH1A1 (0.48) ALDH1A1HPGDPOLBCCR6LMNA
SCHEMBL6736403 0.84 ALDH1A1 (0.48) ALDH1A1HPGDPOLBCCR6LMNA
SCHEMBL6724236 0.81 RAD52 (0.45) ALDH1A1POLBSMN1; SMN2MAPTKMT2A
SCHEMBL6200118 0.77 ALDH1A1 (0.50) ALDH1A1HPGDPOLBCCR6LMNA
SCHEMBL10543732 0.74 ALDH1A1 (0.43) ALDH1A1HPGDPOLBCCR6LMNA
SCHEMBL987100 0.73 ALDH1A1 (0.50) ALDH1A1HPGDPOLBCCR6LMNA
SCHEMBL19783662 0.72 THRB (0.45) ALDH1A1HPGDDPP4MAPTKMT2A
SCHEMBL730189 0.72 MAPK1 (0.46) ALDH1A1SMN1; SMN2NPSR1DPP4MAPT
SCHEMBL538232 0.72 SMN1; SMN2 (0.55) ALDH1A1HPGDPOLBMITFSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ALDH1A1 779/4885HPGD 1618/4885POLB 1649/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ALDH1A1 779/4885HPGD 1618/4885POLB 1649/4885

“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.