SCHEMBL1998057

SCHEMBL1998057

Cc1cc(Nc2nc3ccccc3[nH]2)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NPC1 O15118 7/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 4/20 0.56
DDX3X O00571 1/20 0.53
AKR1C3 P42330 1/20 0.52
ABCB1 P08183 1/20 0.49
POLB P06746 1/20 0.49
TEK Q02763 1/20 0.48
GAA P10253 3/20 0.47
HTT P42858 1/20 0.47
PDE10A Q9Y233 1/20 0.47
GRM4 Q14833 1/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1999412 0.87 MEN1 (0.61) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18418447 0.83 MEN1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2002403 0.83 MEN1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1996070 0.81 MEN1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1995733 0.80 MEN1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1996591 0.79 MEN1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6037544 0.79 MEN1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18236256 0.78 AKR1C3 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1996492 0.78 MEN1 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1163897 0.76 MEN1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076106-A1 2-(Phenylamino) Benzimidazole Derivatives and Their Use as Modulators of Small- Conductance Calcuim-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-03-19 US claimed
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-07-16 US disclosed
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-02-02 US disclosed
WO-2015154169-A1 BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-10-15 WO disclosed
US-7960561-B2 2-(phenylamino) benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2011-06-14 US disclosed
US-20090076106-A1 2-(Phenylamino) Benzimidazole Derivatives and Their Use as Modulators of Small- Conductance Calcuim-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-03-19 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 (3 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-20090076106-A1 2-(Phenylamino) Benzimidazole Derivatives and Their Use as Modulators of Small- Conductance Calcuim-Activated Potassium Channels KCNN2, KCNN1, KCNN3 MEN1 2186/4885KMT2A 1406/4885NPC1 1565/4885
US-10351527-B2 Binding function 3 (BF3) site compounds as therapeutics and methods for their use KLK3, SHBG, ACP3 MEN1 681/4885KMT2A 4323/4885NPC1 922/4885
US-20170029372-A1 BINDING FUNCTION 3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE KLK3, SHBG, ACP3 MEN1 681/4885KMT2A 4323/4885NPC1 922/4885

“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.