SCHEMBL21366096

SCHEMBL21366096

COC(=O)c1nnc(C(=O)c2c[nH]c3ccccc23)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.65
CREBBP Q92793 1/20 0.65
TUBB4A P04350 2/20 0.60
TUBB P07437 2/20 0.60
TUBA3C P0DPH7 2/20 0.60
TUBA1B P68363 2/20 0.60
TUBA4A P68366 2/20 0.60
TUBB4B P68371 2/20 0.60
TUBB3 Q13509 2/20 0.60
TUBB2A Q13885 2/20 0.60
TUBB8 Q3ZCM7 2/20 0.60
TUBA3E Q6PEY2 2/20 0.60
TUBA1A Q71U36 2/20 0.60
TUBA1C Q9BQE3 2/20 0.60
TUBB6 Q9BUF5 2/20 0.60
TUBB2B Q9BVA1 2/20 0.60
TUBB1 Q9H4B7 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL22644115 0.83 MEN1 (0.63) NR4A2CREBBPTUBB4ATUBBTUBA3C
SCHEMBL21438794 0.82 NR4A2 (0.79) NR4A2CREBBPMEN1KMT2AMAPT
SCHEMBL21448962 0.80 TUBB4A (0.53) NR4A2CREBBPTUBB4ATUBBTUBA3C
SCHEMBL1093530 0.80 NR4A2 (1.00) NR4A2CREBBPMEN1KMT2AMAPT
SCHEMBL30031033 0.80 NR4A2 (1.00) NR4A2CREBBPMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL28254334 0.78 NR4A2 (0.97) NR4A2CREBBPMEN1KMT2AMAPT
SCHEMBL21366108 0.78 MEN1 (0.67) NR4A2CREBBPTUBB4ATUBBTUBA3C
SCHEMBL21439506 0.78 TP53 (0.74) NR4A2CREBBPMEN1KMT2AMAPT
SCHEMBL21366224 0.76 MEN1 (0.68) NR4A2CREBBPMEN1KMT2AMAPT
SCHEMBL22462594 0.76 NR4A2 (0.65) NR4A2CREBBPMEN1KMT2AMAPT

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
EP-3564239-B9 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN INC (US) 2023-04-19 EP disclosed
US-11547698-B2 Aryl hydrocarbon receptor modulators ARIAGEN, INC. (US) 2023-01-10 US disclosed
EP-3564239-A1 ARYL HYDROCARBON RECEPTOR MODULATOR Shenzhen Immunova Pharmaceutical Co., Ltd. (CN) 2019-11-06 EP disclosed
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR PHARMACEUTICALS, INC. 2019-10-31 US disclosed
US-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-10-10 US disclosed
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-09-19 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 (4 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-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 NR4A2 30/4885CREBBP 2001/4885TUBB4A 4222/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 NR4A2 41/4885CREBBP 2443/4885TUBB4A 4806/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 NR4A2 24/4885CREBBP 1648/4885TUBB4A 4170/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 NR4A2 41/4885CREBBP 2443/4885TUBB4A 4806/4885

“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.