SCHEMBL7528107

SCHEMBL7528107

Cc1cc(NCC(C)(C)C)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
HRH4 Q9H3N8 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GAA P10253 3/20 0.33
NUDT1 P36639 1/20 0.33
ALOX15 P16050 1/20 0.33
IDH2 P48735 1/20 0.32
KDM1A O60341 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7532787 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AKDM4EHTT
SCHEMBL18355748 0.75 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AKDM4EHTT
SCHEMBL3835193 0.74 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AKDM4EHTT
SCHEMBL20156432 0.74 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AKDM4EHTT
SCHEMBL28746286 0.74 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AKDM4EHTT
SCHEMBL9160736 0.73 MEN1 (0.48) SMN1; SMN2MEN1KMT2AKDM4EHTT
SCHEMBL14487061 0.73 HRH4 (0.57) HRH4HRH3
SCHEMBL3626130 0.71
SCHEMBL13440656 0.70 BRD4 (0.55) SMN1; SMN2MEN1KMT2AKDM4EGAA
SCHEMBL7272830 0.70 GAA (0.52) SMN1; SMN2MEN1KMT2AKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458823-B1 4,5-DIAMINO DERIVATIVES OF (1H)- PYRAZOLES AND THEIR USE IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, WHICH INCLUDE, URINARY INCONTINENCE, HYPERTENSION, ASTHAMA, PREMATURE LABOR, IRRITABLE BOWL SYNDROM WYETH 2002-10-01 US disclosed
US-20020032198-A1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2002-03-14 US disclosed
US-6319941-B1 TREATMENT OF SMOOTH MUSCLE SPASTICITY OR EXCESS MUSCLE CONTRACTION SUCH AS URGE URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-11-20 US disclosed
US-6313149-B1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2001-11-06 US disclosed
US-6172222-B1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2001-01-09 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-20020032198-A1 Diaminopyrazoles ODC1, AOC1, CLIC1 SMN1; SMN2 63/4885MEN1 2864/4885KMT2A 3152/4885

“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.