SCHEMBL17570907

SCHEMBL17570907

COC(=O)[C@H]1CC[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)Nc2cc(CBr)cc(CBr)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 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
SCHEMBL22064351 1.00 ALDH1A1 (0.47) ALDH1A1POLBHTTHSD17B10SMN1; SMN2
SCHEMBL18924126 0.89 ALDH1A1 (0.48) ALDH1A1POLBHTTHSD17B10SMN1; SMN2
SCHEMBL17570905 0.89 ALDH1A1 (0.48) ALDH1A1POLBHTTHSD17B10SMN1; SMN2
SCHEMBL22064568 0.74 ALDH1A1 (0.66) ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL18924125 0.74 PSMB5 (0.41) ALDH1A1POLBHTTSMN1; SMN2MTNR1A
SCHEMBL17570904 0.74 PSMB5 (0.41) ALDH1A1POLBHTTSMN1; SMN2MTNR1A
SCHEMBL18924053 0.70 PSMB5 (0.38) ALDH1A1HTTHSD17B10SMN1; SMN2
SCHEMBL2576767 0.68 KMT2A (0.44) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2576766 0.68 KMT2A (0.44) ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL18924055 0.67 PSMB5 (0.44) ALDH1A1POLBHTTHSD17B10MTNR1A

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-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US disclosed
US-10238751-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-03-26 US disclosed
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-11-30 US disclosed
US-9669102-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-06-06 US disclosed
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2016-03-24 US disclosed
WO-2016036801-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2016-03-10 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 (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-10238751-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 ALDH1A1 695/4885POLB 2910/4885HTT 3818/4885

“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.