SCHEMBL8881808

SCHEMBL8881808

Cc1ccc(Sc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ PDE7A Q13946 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ IDO1 P14902 1/20 0.55
▸ LMNA P02545 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ HPGD P15428 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PDE7B Q9NP56 1/20 0.50

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
SCHEMBL9186731 0.86 PDE7A (0.56) MAPTALDH1A1PDE7ASMN1; SMN2MEN1
SCHEMBL30338244 0.85 PDE7A (0.65) MAPTALDH1A1PDE7ASMN1; SMN2MEN1
SCHEMBL1713219 0.85 PDE7A (0.65) MAPTALDH1A1PDE7ASMN1; SMN2MEN1
SCHEMBL1341344 0.85 PDE7A (0.54) MAPTALDH1A1PDE7ASMN1; SMN2MEN1
SCHEMBL7665295 0.83 PDE7A (0.67) PDE7ASMN1; SMN2MEN1KMT2APOLB
SCHEMBL10923003 0.83 PDE7A (0.65) MAPTALDH1A1PDE7ASMN1; SMN2MEN1
SCHEMBL2614719 0.83 PDE7A (0.59) MAPTALDH1A1PDE7ASMN1; SMN2MEN1
SCHEMBL2959825 0.83 MAPT (0.71) MAPTALDH1A1PDE7AMEN1KMT2A
SCHEMBL11760310 0.83 PDE7A (0.56) MAPTALDH1A1PDE7ASMN1; SMN2MEN1
SCHEMBL2414180 0.82 PDE7A (0.51) MAPTALDH1A1PDE7ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113813-A1 MECHANOCHEMICAL SNAR REACTIONS UNIVERSITY OF CINCINNATI (US) 2021-06-10 — — WO disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 — — US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 — — US disclosed
US-5679695-A Aryl and heteroaryl compounds having anti-retrovirus activity THE UNIVERSITY OF CONNECTICUT (US) 1997-10-21 — — US disclosed
EP-0554377-A4 ARYL AND HETEROARYL COMPOUNDS HAVING ANTI-RETROVIRUS ACTIVITY — 1993-10-20 — — EP disclosed
EP-0554377-A1 ARYL AND HETEROARYL COMPOUNDS HAVING ANTI-RETROVIRUS ACTIVITY THE UNIVERSITY OF CONNECTICUT (US) 1993-08-11 — — EP disclosed
WO-1992006683-A1 ARYL AND HETEROARYL COMPOUNDS HAVING ANTI-RETROVIRUS ACTIVITY RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-04-30 — — WO disclosed
US-4912112-A Substituted 2,4-diamino-5-benzylpyrimidines, their preparation and their use as medicaments with an antimicrobial activity SAARSTICKSTOFF-FATOL GMBH CHEM.-PHARM. FABRIK (DE) 1990-03-27 — — 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 (1 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-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A MAPT 2807/4885ALDH1A1 3217/4885PDE7A 3500/4885

“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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