SCHEMBL4893740

SCHEMBL4893740

Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
NOD1 Q9Y239 3/20 0.74
TNF P01375 2/20 0.74
NOD2 Q9HC29 2/20 0.74
SOS1 Q07889 2/20 0.74
CXCL8 P10145 1/20 0.74
CSF1R P07333 4/20 0.57
HTT P42858 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CXCR4 P61073 1/20 0.53
CCR2 P41597 2/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL14281041 0.89 KMT2A (0.80) KMT2ANOD1TNFNOD2SOS1
SCHEMBL7165480 0.88 TNF (0.87) KMT2ANOD1TNFNOD2SOS1
SCHEMBL7337702 0.85 NOD1 (1.00) KMT2ANOD1TNFNOD2SOS1
SCHEMBL10353547 0.83 KMT2A (0.71) KMT2ANOD1TNFNOD2SOS1
SCHEMBL7168102 0.83 KMT2A (0.71) KMT2ANOD1TNFNOD2SOS1
SCHEMBL939417 0.83 TNF (0.79) KMT2ANOD1TNFNOD2SOS1
SCHEMBL10353137 0.83 KMT2A (0.71) KMT2ANOD1TNFNOD2SOS1
Hydrochloric Acid SCHEMBL10353113 0.82 KMT2A (0.70) KMT2ANOD1TNFNOD2SOS1
SCHEMBL10353548 0.82 KMT2A (0.71) KMT2AHTTCYP1A2CYP2D6HDAC3
SCHEMBL9630558 0.81 TNF (0.75) KMT2ANOD1TNFNOD2SOS1

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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GFB (ABC), LLC 2020-12-03 US disclosed
WO-2019028308-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-02-07 WO disclosed
US-20080027044-A1 Prodrug antibiotic screens NORTHEASTERN UNIVERSITY 2008-01-31 US disclosed
US-20080027044-A1 Prodrug antibiotic screens NORTHEASTERN UNIVERSITY 2008-01-31 US disclosed
US-20080027044-A1 Prodrug antibiotic screens NORTHEASTERN UNIVERSITY 2008-01-31 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 (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-20200377505-A1 BENZIMIDAZOLES AND AZA-BENZIMIDAZOLES, AND METHODS OF USE THEREOF AZI2, ATP6V1B1, GLS KMT2A 1233/4885NOD1 3826/4885TNF 3981/4885
US-20080027044-A1 Prodrug antibiotic screens O60361, PGLS, GUSB KMT2A 3307/4885NOD1 876/4885TNF 2187/4885

“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.