SCHEMBL9968424

SCHEMBL9968424

Cn1c(-c2nc(N3CCCCC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.47
DRD4 P21917 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
SMO Q99835 3/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9932954 0.88 PIK3CB (0.50) GRM2DRD4MEN1KMT2AALDH1A1
SCHEMBL1533887 0.88 CYP1A2 (0.47) GRM2DRD4MEN1KMT2AALDH1A1
SCHEMBL9968423 0.87 SMO (0.47) GRM2DRD4MEN1KMT2ASMN1; SMN2
SCHEMBL1533965 0.86 MKNK1 (0.54) GRM2DRD4MEN1KMT2AALDH1A1
SCHEMBL9932881 0.86 SMO (0.60) GRM2DRD4MEN1KMT2ASMN1; SMN2
SCHEMBL9931835 0.85 SMO (0.61) GRM2DRD4MEN1KMT2AALDH1A1
SCHEMBL9931274 0.85 SMO (0.61) GRM2DRD4MEN1KMT2ASMN1; SMN2
SCHEMBL9932312 0.83 SMO (0.48) GRM2DRD4MEN1KMT2ASMN1; SMN2
SCHEMBL1533944 0.82 SMO (0.48) GRM2DRD4MEN1KMT2AALDH1A1
SCHEMBL9968426 0.82 SMO (0.48) GRM2DRD4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 GRM2 4393/4885DRD4 2786/4885MEN1 1168/4885

“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.