SCHEMBL9968519

SCHEMBL9968519

Cn1c(-c2nc(N3CCNCC3)ccc2Cl)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.49
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
ADRB1 P08588 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
HTR1A P08908 1/20 0.49
HTR2C P28335 1/20 0.49
MAPK1 P28482 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 1/20 0.49
HTT P42858 1/20 0.49
HTR6 P50406 1/20 0.49
PMP22 Q01453 1/20 0.49

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
Formic Acid SCHEMBL9933150 0.94 KDM4E (0.44) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9968420 0.88 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9968416 0.85 TSHR (0.43) ALDH1A1KDM4ECYP3A4HSD17B10MAPK1
SCHEMBL9932793 0.84 KDM4E (0.42) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9932543 0.84 SMO (0.45) ALDH1A1KDM4ECYP3A4HSD17B10MAPK1
SCHEMBL9968415 0.84 MEN1 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9968419 0.82 MEN1 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9931839 0.82 MEN1 (0.46) ALDH1A1KDM4ENCF1MEN1KMT2A
SCHEMBL9932626 0.82 HSD11B1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL12841110 0.82 KDM4E (0.40) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 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 (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 HTR3A 3518/4885HTR3E 2668/4885HTR3B 2683/4885

“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.