SCHEMBL3083259

SCHEMBL3083259

Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.60
TNF P01375 1/20 0.60
CXCL8 P10145 1/20 0.60
NOD2 Q9HC29 1/20 0.60
NOD1 Q9Y239 1/20 0.60
DRD2 P14416 1/20 0.50
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
NUDT1 P36639 1/20 0.47
BACE1 P56817 1/20 0.47
CNR2 P34972 3/20 0.47
CNR1 P21554 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CSF1R P07333 1/20 0.46
P2RX3 P56373 1/20 0.43

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
SCHEMBL30358044 1.00 SOS1 (0.60) SOS1TNFCXCL8NOD2NOD1
SCHEMBL7338096 0.88 SOS1 (0.49) SOS1TNFCXCL8NOD2NOD1
SCHEMBL7298039 0.86 ALDH1A1 (0.53) SOS1TNFCXCL8NOD2NOD1
SCHEMBL7337916 0.85 ALDH1A1 (0.65) ALDH1A1POLBHTTCNR2CSF1R
SCHEMBL7170787 0.85 CNR2 (0.47) SOS1TNFCXCL8NOD2NOD1
SCHEMBL7337406 0.81 CNR2 (0.51) SOS1DRD2CNR2CNR1P2RX3
SCHEMBL14521693 0.79 CYP1A2 (0.55) KMT2APOLBHTTCNR2CNR1
SCHEMBL2362142 0.77 POLB (0.57) ALDH1A1POLBHTTNUDT1BACE1
SCHEMBL7337702 0.76 NOD1 (1.00) SOS1TNFCXCL8NOD2NOD1
SCHEMBL5394735 0.75 BACE1 (0.62) SOS1TNFCXCL8NOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545845-B1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH AS (DK) 1996-02-28 EP claimed
US-5314903-A Benzimidazole compounds useful as calcium channel blockers NEUROSEARCH A/S (DK) 1994-05-24 US claimed
EP-0545845-A1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH A/S (DK) 1993-06-09 EP claimed
JP-7002796-A None JP disclosed
US-20100234402-A1 METHODS AND COMPOSITIONS FOR TREATING SPINAL MUSCULAR ATROPHY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2010-09-16 US disclosed
US-20060286167-A1 Compositions and methods for the treatment of neurodegenerative diseases STAUNTON JANE 2006-12-21 US disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
EP-0545845-B1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
JP-H072796-A IMIDAZOLE COMPOUND, ITS PREPARATION AND ITS USE NEUROSEARCH AS 1995-01-06 JP disclosed
US-5314903-A Benzimidazole compounds useful as calcium channel blockers NEUROSEARCH A/S (DK) 1994-05-24 US disclosed
EP-0545845-A1 Imidazole compounds, their preparation and use as calcium channel blockers NEUROSEARCH A/S (DK) 1993-06-09 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 (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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT SOS1 4622/4885TNF 991/4885CXCL8 4433/4885

“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.