SCHEMBL4518536

SCHEMBL4518536

Clc1cccc(-c2cscn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
SCN9A Q15858 1/20 0.48
IDO1 P14902 4/20 0.46
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
NOTUM Q6P988 1/20 0.45
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
KMO O15229 2/20 0.44
FYN P06241 1/20 0.43
KAT6A Q92794 1/20 0.43
ALOX5 P09917 1/20 0.43
DYRK3 O43781 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5R1 Q15078 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
SCHEMBL30042796 1.00 CYP19A1 (0.50) CYP19A1SCN9AIDO1METAP2METAP1
SCHEMBL28327241 0.85 SCN9A (0.49) CYP19A1SCN9AIDO1METAP2METAP1
SCHEMBL5322690 0.79 RAB9A (0.54) SCN9AIDO1METAP2KAT6A
SCHEMBL14060817 0.78 CAMK2D (0.43) ALOX5ABL1
SCHEMBL2789456 0.78 HSD17B1 (0.58) CYP19A1SCN9AMETAP2ATP4AATP4B
SCHEMBL4524263 0.78 KDM4E (0.53) SCN9AIDO1METAP2METAP1KMO
SCHEMBL30989356 0.78 SCN9A (0.51) SCN9AIDO1METAP2METAP1ATP4A
SCHEMBL1879703 0.78 TSHR (0.51) SCN9AMETAP2KAT6A
SCHEMBL7389467 0.78 SCN9A (0.48) SCN9AIDO1METAP2METAP1KAT6A
SCHEMBL10151028 0.78 SCN9A (0.51) SCN9AIDO1METAP2METAP1ATP4A

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
WO-2007108566-A1 PAIN-RELIEVING COMPOSITION EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2007-09-27 WO claimed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
WO-2007108566-A1 PAIN-RELIEVING COMPOSITION EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2007-09-27 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 (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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CYP19A1 2044/4885SCN9A 1400/4885IDO1 3851/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 CYP19A1 1202/4885SCN9A 361/4885IDO1 2838/4885

“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.