SCHEMBL10188095

SCHEMBL10188095

Cc1cccc[n+]1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
APOBEC3A P31941 1/20 0.61
APOBEC3G Q9HC16 1/20 0.61
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP2C19 P33261 2/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP1A2 P05177 1/20 0.44
RCE1 Q9Y256 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Bromide SCHEMBL1827960 0.98 POLB (0.59) POLBMEN1KMT2AAPOBEC3AAPOBEC3G
Bromide SCHEMBL7857771 0.80 MEN1 (0.56) POLBMEN1KMT2AAPOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL7861856 0.80 MEN1 (0.59) POLBMEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL8735025 0.78 MEN1 (0.57) POLBMEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL2469671 0.77 RAB9A (0.53) POLBMEN1KMT2ALMNAKDM4E
SCHEMBL29519716 0.77 RAB9A (0.53) POLBMEN1KMT2ALMNAKDM4E
Bromide SCHEMBL8664128 0.77 ALDH1A1 (0.60) POLBMEN1KMT2AAPOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL29754142 0.76 RAB9A (0.52) POLBMEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL637319 0.76 RAB9A (0.52) POLBMEN1KMT2ALMNAKDM4E
Bromide SCHEMBL30982171 0.76 SMN1; SMN2 (0.57) POLBMEN1KMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 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 (5 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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 POLB 4854/4885MEN1 3217/4885KMT2A 3619/4885
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 POLB 4276/4885MEN1 3865/4885KMT2A 3890/4885
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 POLB 4276/4885MEN1 3865/4885KMT2A 3890/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 POLB 4276/4885MEN1 3865/4885KMT2A 3890/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 POLB 4276/4885MEN1 3865/4885KMT2A 3890/4885

“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.