SCHEMBL18499709

SCHEMBL18499709

CCC1CC(=O)N(c2ccc(C(C)(C)CC(N)=O)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 7/20 0.45
▸ ALOX5 P09917 7/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ADAM17 P78536 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36

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
SCHEMBL19156078 0.88 MT-CO2 (0.43) MT-CO2ALOX5KMT2AL3MBTL1ALDH1A1
SCHEMBL18499737 0.85 KMT2A (0.46) MT-CO2ALOX5KMT2AL3MBTL1ALDH1A1
SCHEMBL20042025 0.84 MT-CO2 (0.45) MT-CO2ALOX5KMT2AL3MBTL1ALDH1A1
SCHEMBL19975822 0.84 ADAM17 (0.56) MT-CO2ALOX5KMT2AL3MBTL1ALDH1A1
SCHEMBL21727101 0.82 KMT2A (0.45) MT-CO2ALOX5KMT2AL3MBTL1ALDH1A1
SCHEMBL18626054 0.82 KMT2A (0.55) KMT2AALDH1A1TP53MAPTHTT
SCHEMBL18626051 0.82 GAA (0.45) MT-CO2ALOX5KMT2AL3MBTL1ALDH1A1
SCHEMBL18888421 0.81 MT-CO2 (0.43) MT-CO2ALOX5KMT2AL3MBTL1ALDH1A1
SCHEMBL19231279 0.80 MT-CO2 (0.41) MT-CO2ALOX5KMT2AL3MBTL1ALDH1A1
SCHEMBL19231281 0.80 MT-CO2 (0.41) MT-CO2ALOX5KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-03 — — US disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 — — US disclosed
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2021-05-13 — — US disclosed
US-20200345861-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES BLUE OWL OPPORTUNISTIC MASTER FUND I, L.P. (FORMERLY KNOWN AS OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P.) 2020-11-05 — — US disclosed
US-20200054761-A1 METHODS AND COMPOSITION FOR INHIBITING TUMOR GROWTH AND ENHANCING IMMUNE RESPONSES TO TUMORS THOMAS JEFFERSON UNIVERSITY (US) 2020-02-20 — — US disclosed
US-10561739-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2020-02-18 — — US disclosed
US-10329352-B2 Pyrrolobenzodiazepines and targeted conjugates SEATTLE GENETICS, INC. (US) 2019-06-25 — — US disclosed
US-20190015524-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2019-01-17 — — US disclosed
US-20180125994-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES MEDIMMUNE LIMITED (GB) 2018-05-10 — — US disclosed
US-20180127505-A1 HUMANIZED ANTI-AXL ANTIBODIES AND THEIR CONJUGATES ADC THERAPEUTICS SA (CH) 2018-05-10 — — US disclosed
US-20170298137-A1 PYRROLOBENZODIAZEPINES AND TARGETED CONJUGATES SEAGEN INC. 2017-10-19 — — US disclosed
US-9707301-B2 Pyrrolobenzodiazepines and targeted conjugates SEATTLE GENETICS, INC. (US) 2017-07-18 — — US disclosed
US-9592240-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2017-03-14 — — US disclosed
US-9567340-B2 Unsymmetrical pyrrolobenzodiazepines-dimers for use in the treatment of proliferative and autoimmune diseases MEDIMMUNE LIMITED (GB) 2017-02-14 — — 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 (11 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-20170298137-A1 PYRROLOBENZODIAZEPINES AND TARGETED CONJUGATES DRD2, DRD3, SBDS MT-CO2 3761/4885ALOX5 3775/4885KMT2A 2010/4885
US-20200345861-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES CD79B, BCL6B, BCL6 MT-CO2 4804/4885ALOX5 4693/4885KMT2A 628/4885
US-10561739-B2 Targeted pyrrolobenzodiazapine conjugates QDPR, SBDS, DNPEP MT-CO2 4193/4885ALOX5 3467/4885KMT2A 2477/4885
US-20180127505-A1 HUMANIZED ANTI-AXL ANTIBODIES AND THEIR CONJUGATES AXL, TYRO3, FLT3 MT-CO2 4853/4885ALOX5 4483/4885KMT2A 776/4885
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES PSMA2, PSMA7, FOLH1 MT-CO2 4706/4885ALOX5 4847/4885KMT2A 1144/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 MT-CO2 2678/4885ALOX5 4221/4885KMT2A 1237/4885
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates CD79B, BCL6B, BCL6 MT-CO2 4804/4885ALOX5 4693/4885KMT2A 628/4885
US-20190015524-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES CD4, CD47, IL2RA MT-CO2 2238/4885ALOX5 3694/4885KMT2A 809/4885
US-20200054761-A1 METHODS AND COMPOSITION FOR INHIBITING TUMOR GROWTH AND ENHANCING IMMUNE RESPONSES TO TUMORS MSR1, CD209, CD14 MT-CO2 4819/4885ALOX5 1940/4885KMT2A 2580/4885
US-20180125994-A1 SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES FOLH1, PSMA2, DNPEP MT-CO2 3873/4885ALOX5 4775/4885KMT2A 844/4885
US-10329352-B2 Pyrrolobenzodiazepines and targeted conjugates DRD2, DRD3, SBDS MT-CO2 3761/4885ALOX5 3775/4885KMT2A 2010/4885

“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.

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