SCHEMBL7530442

SCHEMBL7530442

Cc1nn(C)c(NCC(C)(C)C)c1Nc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
GALR3 O60755 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.37
BRAF P15056 2/20 0.35
NR2F2 P24468 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.33

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
SCHEMBL7530709 0.86 CA12 (0.41) SMN1; SMN2HTTGALR3MAPTKDM4E
SCHEMBL7531783 0.83 MAPT (0.38) SMN1; SMN2HTTGALR3MAPTKDM4E
SCHEMBL7532632 0.82 RAPGEF4 (0.37) KMT2ARAB9ASMN1; SMN2HTTGALR3
SCHEMBL7531237 0.76 SMN1; SMN2 (0.44) KMT2ARAB9ASMN1; SMN2HTTGALR3
SCHEMBL7532592 0.70 ADRA2C (0.39) RAB9AKDM4EGAAPOLBBCDIN3D
SCHEMBL7233993 0.70 MEN1 (0.43) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7531677 0.69 SMN1; SMN2 (0.40) KMT2ARAB9ASMN1; SMN2HTTMAPT
SCHEMBL7527986 0.68 NUDT1 (0.36) KDM4E
SCHEMBL7533638 0.68
SCHEMBL7530171 0.66 GAA (0.42) MAPTGAABCDIN3D

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
US-20020032198-A1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2002-03-14 US claimed
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 claimed
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 KMT2A 3152/4885RAB9A 3925/4885NPC1 2846/4885

“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.