SCHEMBL15717554

SCHEMBL15717554

Nc1nc2ccc(Cl)c([N+](=O)[O-])c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TYMS P04818 11/20 0.46
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
BACE1 P56817 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NPBWR1 P48145 1/20 0.35
DHFR P00374 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL5683322 0.81 ALDH1A1 (0.49) ALDH1A1TDP1TYMSMEN1USP2
SCHEMBL8855514 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANPBWR1GRIN2D
SCHEMBL7045265 0.74 HTR3E (0.47) ALDH1A1TDP1TYMSHTR3EHTR3B
Methane SCHEMBL6992410 0.73 MMP2 (0.50) ALDH1A1MEN1KMT2ANPBWR1NPC1
SCHEMBL18055756 0.72 EPAS1 (0.60) TYMS
SCHEMBL6579702 0.72 ALDH1A1 (0.48) ALDH1A1TDP1TYMSDHFRNPC1
SCHEMBL27759850 0.71 HTR3E (0.44) ALDH1A1TYMSHTR3EHTR3BHTR3A
SCHEMBL1201707 0.71 TYMS (0.56) ALDH1A1TDP1TYMSMEN1KMT2A
SCHEMBL15716836 0.71 CYP3A4 (0.46) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL15716960 0.71 TSHR (0.36) ALDH1A1TDP1MEN1USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757379-B2 Inhibition of HIF-2α heterodimerization with HIF1β (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-09-12 US disclosed
US-9757379-B2 Inhibition of HIF-2α heterodimerization with HIF1β (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-09-12 US disclosed
US-20160250216-A1 INHIBITION OF HIF-2ALPHA HETERODIMERIZATION WITH HIF1BETA (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-01 US disclosed
US-20160250216-A1 INHIBITION OF HIF-2ALPHA HETERODIMERIZATION WITH HIF1BETA (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-01 US disclosed
EP-2919770-A2 INHIBITION OF HIF-2 HETERODIMERIZATION WITH HIF1 (ARNT) The Board of Regents of The University of Texas System (US) 2015-09-23 EP disclosed
WO-2014078479-A2 INHIBITION OF HIF-2α HETERODIMERIZATION WITH HIF1β (ARNT) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-05-22 WO 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-20160250216-A1 INHIBITION OF HIF-2ALPHA HETERODIMERIZATION WITH HIF1BETA (ARNT) HIF1AN, HIF1A, EGLN2 ALDH1A1 1277/4885TDP1 4633/4885TYMS 4342/4885

“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.