SCHEMBL20139110

SCHEMBL20139110

COc1ccc2[nH]c(C=O)c(I)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 7/20 0.56
MAPT P10636 4/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GFER P55789 2/20 0.56
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 5/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1337263 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL29952327 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL31740006 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL28971633 0.76 KDM4E (0.44) ALDH1A1KDM4ETSHRHPGDSMN1; SMN2
SCHEMBL11627520 0.75 AKR1C2 (0.70) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL14154118 0.74 KDM4E (0.57) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL15774313 0.74 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL29786741 0.74 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL1120906 0.74 KDM4E (0.61) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL28095440 0.74 KDM4E (0.61) ALDH1A1KDM4EMAPTHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
EP-3538529-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2019-09-18 EP disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
CN-109963850-A The selective depressant of genotoxicity stress-induced IKK/NF- kB pathway 马克思-德布鲁克-分子医学中心亥姆霍兹联合会 2019-07-02 CN disclosed
WO-2018087389-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2018-05-17 WO disclosed
WO-2018087389-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2018-05-17 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 (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-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways IKBKB, NFKBIA, IKBKE ALDH1A1 3837/4885KDM4E 2954/4885MAPT 2979/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE ALDH1A1 3972/4885KDM4E 2948/4885MAPT 2845/4885

“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.