SCHEMBL2954791

SCHEMBL2954791

COc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.65
▸ PKM P14618 2/20 0.65
▸ CRHBP P24387 1/20 0.65
▸ CRHR2 Q13324 1/20 0.65
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ MAPT P10636 3/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ TSHR P16473 2/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ RORC P51449 1/20 0.61
▸ KCNMA1 Q12791 2/20 0.56
▸ MAOB P27338 1/20 0.54
▸ METAP2 P50579 1/20 0.53
▸ LMNA P02545 1/20 0.52

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
SCHEMBL29397255 1.00 ALDH1A1 (0.65) ALDH1A1PKMCRHBPCRHR2KMT2A
SCHEMBL17103330 0.91 RORC (0.68) ALDH1A1PKMCRHBPCRHR2KMT2A
SCHEMBL13265946 0.91 TSHR (0.62) ALDH1A1PKMCRHBPCRHR2KMT2A
SCHEMBL13265768 0.90 PKM (0.63) ALDH1A1PKMCRHBPCRHR2KMT2A
SCHEMBL17103194 0.88 RORC (0.58) ALDH1A1PKMCRHBPCRHR2KMT2A
SCHEMBL17103193 0.87 RORC (0.57) ALDH1A1PKMCRHBPCRHR2KMT2A
SCHEMBL18584852 0.87 MAPT (0.62) ALDH1A1PKMCRHBPCRHR2KMT2A
SCHEMBL18585211 0.87 ALDH1A1 (0.62) ALDH1A1PKMCRHBPCRHR2KMT2A
SCHEMBL17103179 0.86 RORC (0.56) ALDH1A1PKMCRHBPCRHR2KMT2A
SCHEMBL17103191 0.86 RORC (0.58) ALDH1A1PKMCRHBPCRHR2KMT2A

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-11136301-B2 Broad spectrum antiviral compounds and uses thereof The Regents of the University of California, A California Corporation et al. (US) 2021-10-05 — — US disclosed
US-11136301-B2 Broad spectrum antiviral compounds and uses thereof The Regents of the University of California, A California Corporation et al. (US) 2021-10-05 — — US disclosed
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF THE UNIVERSITY OF MIAMI 2018-10-18 — — US disclosed
WO-2017040693-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-09 — — WO disclosed
WO-2017040693-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-09 — — WO disclosed
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
EP-1945208-A2 COMPOSITION AND SYNTHESIS OF NEW REAGENTS FOR INHIBITION OF HIV REPLICATION University of Massachusetts (US) 2008-07-23 — — EP disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — US disclosed
WO-2007044565-A2 COMPOSITION AND SYNTHESIS OF NEW REAGENTS FOR INHIBITION OF HIV REPLICATION UNIVERSITY OF MASSACHUSETTS (US) 2007-04-19 — — WO disclosed
WO-2007044565-A2 COMPOSITION AND SYNTHESIS OF NEW REAGENTS FOR INHIBITION OF HIV REPLICATION UNIVERSITY OF MASSACHUSETTS (US) 2007-04-19 — — 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 (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-11136301-B2 Broad spectrum antiviral compounds and uses thereof MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3215/4885PKM 2855/4885CRHBP 3378/4885
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 ALDH1A1 4359/4885PKM 3412/4885CRHBP 3361/4885
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3215/4885PKM 2855/4885CRHBP 3378/4885

“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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