SCHEMBL14197892

SCHEMBL14197892

CCCN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.49
HTR1A P08908 4/20 0.49
DRD2 P14416 4/20 0.49
HTR6 P50406 4/20 0.49
HRH2 P25021 5/20 0.46
HRH1 P35367 5/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL3668793 0.81 CA1 (0.51) LMNAKDM4EGAAMAPTSMN1; SMN2
SCHEMBL14224951 0.80 BCHE (0.46) LMNAKDM4EGAASMN1; SMN2KCNJ1
SCHEMBL28045965 0.76 KDM4E (0.61) KDM4ESMN1; SMN2HTTKMT2AMEN1
SCHEMBL1546066 0.76 DRD2 (0.54) DRD2LMNAALDH1A1
SCHEMBL1546068 0.76 DRD2 (0.54) DRD2LMNAALDH1A1
SCHEMBL29222155 0.76 CA1 (0.48) KMT2AMEN1POLBTDP1
SCHEMBL4123220 0.76 CA1 (0.48) KMT2AMEN1POLBTDP1
Hydrochloric Acid SCHEMBL9796292 0.74 ALDH1A1 (0.55) HTR7HTR1ADRD2HTR6HRH2
SCHEMBL5723140 0.73 SMN1; SMN2 (0.68) LMNAKDM4EGAAMAPTSMN1; SMN2
SCHEMBL20271516 0.73 SMN1; SMN2 (0.73) LMNAKDM4EGAAMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354946-B2 prominent growth inhibitory activity against tumor cells; cyclin dependent kinase inhibitors; colon cancer; N'-(3-t-butylisoindolino[3,2-b]oxazolidin-4-on-8-yl)-N-(4-(N-benzylpyrrolidin-3-yl)pyridin-2-yl)urea BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-08 US disclosed
US-20070027147-A1 Biarylurea derivatives MSD K.K. (JP) 2007-02-01 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-20070027147-A1 Biarylurea derivatives CDK6, CDK4, CCNI HTR7 1813/4885HTR1A 2064/4885DRD2 1883/4885

“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.