SCHEMBL6402539

SCHEMBL6402539

Nc1cc(Cl)nc(N2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
HRH4 Q9H3N8 5/20 0.47
NUDT1 P36639 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM3 P20309 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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 SCHEMBL6403646 0.98 SMN1; SMN2 (0.49) SMN1; SMN2CRHBPCRHR2CYP1A2CYP2D6
SCHEMBL13779832 0.84 HRH4 (0.57) SMN1; SMN2CRHBPCRHR2CYP1A2MAPT
SCHEMBL908493 0.82 MAPT (0.71) SMN1; SMN2CRHBPCRHR2CYP1A2CYP2D6
SCHEMBL1505630 0.82 HRH4 (0.56) HRH4
SCHEMBL1320033 0.81 CYP1A2 (0.70) SMN1; SMN2CRHBPCRHR2CYP1A2CYP2D6
SCHEMBL1318490 0.81 CYP1A2 (0.70) SMN1; SMN2CRHBPCRHR2CYP1A2CYP2D6
SCHEMBL8695421 0.81 HRH4 (0.56) SMN1; SMN2CRHBPCRHR2CYP1A2HRH4
SCHEMBL24215218 0.80 CYP1A2 (0.43) CYP1A2CYP2D6MAPTLMNATSHR
SCHEMBL3719291 0.79 MAPT (0.72) SMN1; SMN2CRHBPCRHR2CYP1A2CYP2D6
SCHEMBL6017340 0.78 CHRM3 (0.47) SMN1; SMN2CRHBPCRHR2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235565-B1 USE OF 5HT 3 AGONISTS FOR RELAXING THE FUNDUS JANSSEN PHARMACEUTICA NV (BE) 2005-12-28 EP claimed
US-20050209270-A1 Use of 5HT3 agonists for relaxing the fundus MEULEMANS ANN LOUISE G 2005-09-22 US claimed
US-20050119297-A1 Use of 5HT3 agonists for relaxing the fundus MEULEMANS ANN L G (BE) 2005-06-02 US claimed
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
CN-114144226-A Percutaneous spinal cord electrical nerve modulator and application thereof 加利福尼亚大学董事会 2022-03-04 CN disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 CN 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-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 SMN1; SMN2 3705/4885CRHBP 2997/4885CRHR2 2526/4885

“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.