SCHEMBL15053330

SCHEMBL15053330

C/C(=N/N)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CYP3A4 P08684 1/20 0.44
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
AGTR1 P30556 1/20 0.40
OPRK1 P41145 1/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL28839875 1.00 ALDH1A1 (0.56) ALDH1A1CES2CES1CYP3A4POLB
SCHEMBL15061176 0.82 PLAU (0.41) ALDH1A1CES2CES1KDM4EMEN1
SCHEMBL5664854 0.80 KMT2A (0.59) ALDH1A1CES2CES1CYP3A4POLB
SCHEMBL17134109 0.80 KMT2A (0.59) ALDH1A1CES2CES1CYP3A4POLB
SCHEMBL6811312 0.79 ALDH1A1 (0.49) ALDH1A1CES2CES1CYP3A4POLB
SCHEMBL2695442 0.76 KMT2A (0.68) ALDH1A1CYP3A4KDM4EMEN1KMT2A
SCHEMBL15354294 0.76 NPC1 (0.40) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL15053133 0.76 KMT2A (0.68) ALDH1A1CYP3A4KDM4EMEN1KMT2A
SCHEMBL11367447 0.76 CES2 (0.48) ALDH1A1CES2CES1POLBKDM4E
SCHEMBL2314861 0.76 KMT2A (0.68) ALDH1A1CYP3A4KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199920-B2 Antiviral drugs for treatment of arenavirus infection Kineta Four, LLC (US) 2015-12-01 US claimed
US-8492434-B2 Antiviral drugs for treatment of arenavirus infection SIGA TECHNOLOGIES INC. (US) 2013-07-23 US disclosed
US-20130165493-A1 Antiviral Drugs for Treatment of Arenavirus Infection Siga Technologies, Inc, (US) 2013-06-27 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-20130165493-A1 Antiviral Drugs for Treatment of Arenavirus Infection GK, ZC3HAV1, GALK1 ALDH1A1 4066/4885CES2 2657/4885CES1 2166/4885

“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.