SCHEMBL13298982

SCHEMBL13298982

C=C1NN=C(c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GRK6 P43250 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13299006 0.84 ALDH1A1 (0.49) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13299014 0.78 S1PR1 (0.50) MAPTRAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL12117513 0.74 HSD17B10 (0.58) MAPTNPC1RAB9AHSD17B10ALDH1A1
SCHEMBL10149719 0.74 BRD4 (0.43) MAPTNPC1RAB9AALDH1A1TSHR
SCHEMBL13299044 0.73 TP53 (0.44) MAPTALDH1A1S1PR1TDP1GAA
SCHEMBL7190826 0.72 TSHR (0.64) MAPTNPC1RAB9AHSD17B10ALDH1A1
SCHEMBL1514401 0.71 CRHBP (0.58) MAPTNPC1RAB9AHSD17B10ALDH1A1
SCHEMBL15203036 0.71 CRHBP (0.58) MAPTNPC1RAB9AHSD17B10ALDH1A1
SCHEMBL17117159 0.70 TSHR (0.62) MAPTNPC1RAB9AHSD17B10ALDH1A1
SCHEMBL5038826 0.69 CES2 (0.48) MAPTNPC1RAB9AHSD17B10ALDH1A1

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-20100137285-A1 SMALL MOLECULE MODULATORS OF CYTOKINE ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-03 — — US disclosed
US-7648978-B2 Modulates hepatocyte growth factor (HGF); fibrotic liver disease, hepatic ischemia-reperfusion injury, cerebral infarction, ischemic heart disease, renal disease or lung (pulmonary) fibrosis, multiple sclerosis; 4-[4-(1-homopiperidinyl)phenyl]-1-(2H)-phthalazinone ANGION BIOMEDICA CORP. (US) 2010-01-19 — — 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-20100137285-A1 SMALL MOLECULE MODULATORS OF CYTOKINE ACTIVITY HGF, IL2, IL2RA MAPT 3078/4885NPC1 2985/4885RAB9A 928/4885

“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.

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