SCHEMBL2851940

SCHEMBL2851940

Cc1nn(C2CCNCC2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 8/20 0.47
NSD3 Q9BZ95 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR6 P50406 2/20 0.43
HTR2C P28335 2/20 0.40
IGF1R P08069 1/20 0.40
CYP3A4 P08684 1/20 0.40
CDK2 P24941 1/20 0.40
KCNH2 Q12809 1/20 0.40
GLS O94925 1/20 0.40
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39

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
Hydrochloric Acid SCHEMBL15658181 0.98 KHK (0.46) KHKNSD3MEN1ALDH1A1MAPT
SCHEMBL14406153 0.84 KHK (0.45) KHKALDH1A1MAPTHTR6HTR2C
SCHEMBL13135674 0.81 SMN1; SMN2 (0.46) KHKALOX15HTR6HTR2CCYP3A4
Hydrochloric Acid SCHEMBL31746368 0.76 JAK2 (0.40) KHKNSD3MEN1ALDH1A1MAPT
SCHEMBL28608535 0.76 MEN1 (0.39) NSD3MEN1ALDH1A1MAPTPKM
SCHEMBL9282936 0.76 ADRA1A (0.42) KHKNSD3MEN1ALDH1A1MAPT
SCHEMBL4074677 0.74 HTR6 (0.60) NSD3HTR6CYP3A4
SCHEMBL12564065 0.74 ABCB1 (0.43) NSD3MEN1ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL1991841 0.73 ABCB1 (0.43) NSD3MEN1ALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL4772859 0.72 KDM4E (0.57) ALDH1A1CYP3A4KCNH2HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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 (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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 KHK 681/4885NSD3 655/4885MEN1 3295/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 KHK 1051/4885NSD3 690/4885MEN1 2196/4885

“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.