SCHEMBL18499720

SCHEMBL18499720

CCCCCCC1CC(=O)N(CC)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
HLCS P50747 1/20 0.36
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MGLL Q99685 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL18499747 1.00 CYP19A1 (0.40) CYP19A1ALDH1A1MEN1KMT2AHTT
SCHEMBL9123924 0.84 CYP19A1 (0.43) CYP19A1ALDH1A1MEN1KMT2AHTT
SCHEMBL3752093 0.84 CYP19A1 (0.43) CYP19A1ALDH1A1MEN1KMT2AHTT
SCHEMBL10034013 0.84 CYP19A1 (0.43) CYP19A1ALDH1A1MEN1KMT2AHTT
SCHEMBL11712587 0.84 CYP19A1 (0.43) CYP19A1ALDH1A1MEN1KMT2AHTT
SCHEMBL8896238 0.82 TSHR (0.39) CYP19A1ALDH1A1MEN1KMT2AHTT
SCHEMBL3753654 0.82 CYP19A1 (0.47) CYP19A1ALDH1A1MEN1KMT2ALMNA
SCHEMBL5690985 0.81 CYP19A1 (0.50) CYP19A1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6675475 0.80 CYP19A1 (0.51) CYP19A1MEN1KMT2AMGLLPTGS1
SCHEMBL23518383 0.79 CYP19A1 (0.45) CYP19A1ALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695433-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2020-06-30 US disclosed
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2019-01-29 US disclosed
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-11-30 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 (3 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-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof CD22, GABRA1, CCNB1 CYP19A1 2498/4885ALDH1A1 1275/4885MEN1 1037/4885
US-10695433-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 CYP19A1 4331/4885ALDH1A1 2032/4885MEN1 3908/4885
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD22, GABRA1, CCNB1 CYP19A1 2498/4885ALDH1A1 1275/4885MEN1 1037/4885

“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.