SCHEMBL6776150

SCHEMBL6776150

N#Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.50
HDAC2 Q92769 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MYC P01106 1/20 0.46
WDR5 P61964 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
PKM P14618 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
VCAM1 P19320 1/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PGR P06401 5/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6440266 0.90 LMNA (0.52) LMNATSHRHDAC2ALDH1A1MYC
SCHEMBL1706658 0.82 VCAM1 (0.59) LMNATSHRALDH1A1GAAVCAM1
Dinitrophenylene SCHEMBL27864502 0.81 TSHR (0.57) LMNATSHRALDH1A1GAAVCAM1
SCHEMBL7816013 0.79 KCNH2 (0.44) LMNATSHRHDAC2ALDH1A1MYC
SCHEMBL7276378 0.78 LMNA (0.52) LMNATSHRALDH1A1GAAVCAM1
SCHEMBL5070146 0.77 MEN1 (0.48) LMNATSHRALDH1A1GAAMAPT
SCHEMBL6738366 0.77 TSHR (0.76) LMNATSHRALDH1A1MGAMGAA
SCHEMBL6435365 0.76 TSHR (0.53) LMNATSHRALDH1A1MYCWDR5
Water SCHEMBL29134001 0.76 ALDH1A1 (0.75) LMNATSHRHDAC2ALDH1A1MGAM
SCHEMBL30360587 0.76 ALDH1A1 (0.63) LMNATSHRHDAC2ALDH1A1MGAM

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
US-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US disclosed
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-6297261-B1 POTENT CHLORIDE CHANNEL BLOCKERS; TREATMENT OF SICKLE CELL ANEMIA, BRAIN EDEMA FOLLOWING ISCHAEMIA OR TUMORS, DIARRHEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, AND FOR THE REDUCTION OF THE INTRAOCULAR PRESSURE NEUROSEARCH A/S (DK) 2001-10-02 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 (1 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-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 LMNA 1157/4885TSHR 2867/4885HDAC2 909/4885

“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.