SCHEMBL14612428

SCHEMBL14612428

c1nc(N2CCCNCC2)c2ccsc2n1

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.89
MEN1 O00255 1/20 0.59
HRH1 P35367 1/20 0.55
STAT3 P40763 6/20 0.52
HTT P42858 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NR2F2 P24468 3/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
DRD2 P14416 1/20 0.46

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
SCHEMBL4922800 0.94 HTR2C (1.00) HTR2CMEN1HRH1STAT3HTT
Hydrochloric Acid SCHEMBL30569569 0.93 HTR2C (0.97) HTR2CMEN1HRH1STAT3HTT
SCHEMBL13640916 0.85 HTR2C (0.72) HTR2CMEN1HRH1STAT3HTT
SCHEMBL12789897 0.79 MEN1 (0.64) HTR2CMEN1HRH1STAT3HTT
SCHEMBL12789895 0.78 MEN1 (0.71) HTR2CMEN1HRH1STAT3HTT
SCHEMBL5107750 0.78 HTR2C (0.70) HTR2CMEN1HRH1STAT3HTT
SCHEMBL12789889 0.74 MEN1 (0.70) HTR2CMEN1HRH1STAT3HTT
SCHEMBL12789913 0.74 MEN1 (1.00) HTR2CMEN1HRH1STAT3HTT
SCHEMBL4192433 0.74 HTR2C (0.65) HTR2CMEN1HRH1STAT3HTT
SCHEMBL4245389 0.74 HTR2C (0.65) HTR2CMEN1HRH1STAT3HTT

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-20160045504-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-02-18 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 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 (2 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-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 HTR2C 60/4885MEN1 893/4885HRH1 152/4885
US-20160045504-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF LEUKEMIA MLLT1, MCL1, MLLT3 HTR2C 4728/4885MEN1 10/4885HRH1 3264/4885

“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.