SCHEMBL18976128

SCHEMBL18976128

O=C(Nc1ccc2oc(C(=O)N3CCSCC3)cc2c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ THRB P10828 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TYMS P04818 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.43
▸ TPSD1 Q9BZJ3 1/20 0.43

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
SCHEMBL18976336 0.84 ALDH1A1 (0.56) MAPTKMT2AALDH1A1RAB9AHPGD
SCHEMBL6230784 0.74 ALDH1A1 (0.64) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL20581440 0.74 HRH4 (0.44) MAPTALDH1A1RAB9AHPGDPOLB
SCHEMBL20581201 0.72 HRH4 (0.41) MAPTALDH1A1RAB9AHPGDPOLB
SCHEMBL3145322 0.72 CA12 (0.62) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL23258256 0.71 MMP2 (0.57) MAPTMEN1KMT2ARAB9AMMP2
SCHEMBL20580941 0.70 JAK1 (0.41) MAPTALDH1A1RAB9AHPGDACHE
SCHEMBL18976466 0.70 HRAS (0.41) MAPTALDH1A1RAB9AHPGDF2
SCHEMBL8764667 0.69 PTGS2 (0.42) MAPTMEN1KMT2ARAB9AMMP2
SCHEMBL18976320 0.69 RAB9A (0.60) MAPTALDH1A1RAB9AHPGDPOLB

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-10640507-B2 PBD antibacterial agents KING'S COLLEGE LONDON (GB) 2020-05-05 — — US disclosed
US-10640507-B2 PBD antibacterial agents KING'S COLLEGE LONDON (GB) 2020-05-05 — — US disclosed
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS Secretary of State for Health and Social Care (GB) 2018-12-13 — — US disclosed
WO-2017098257-A1 PBD ANTIBACTERIAL AGENTS KING'S COLLEGE LONDON (GB) 2017-06-15 — — 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-10640507-B2 PBD antibacterial agents OPRD1, XDH, SBDS MAPT 4438/4885MEN1 3217/4885KMT2A 3038/4885
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS OPRD1, XDH, SBDS MAPT 4438/4885MEN1 3217/4885KMT2A 3038/4885

“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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