Sugi Predict

Sugi Predict / Compounds / SCHEMBL2235162

SCHEMBL2235162

SCHEMBL2235162

CCc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ POLB P06746 1/20 0.71
▸ PKM P14618 1/20 0.71
▸ NPY1R P25929 1/20 0.71
▸ NPY2R P49146 1/20 0.71
▸ PRNP P04156 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ PPARG P37231 1/20 0.63
▸ HIF1A Q16665 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.63
▸ NR2E3 Q9Y5X4 1/20 0.63
▸ NCOR2 Q9Y618 1/20 0.63
▸ MAPT P10636 4/20 0.61
▸ GAA P10253 2/20 0.60
▸ KDM4E B2RXH2 2/20 0.60

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
SCHEMBL5889822 1.00 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL6001705 0.85 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL6847834 0.83 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL29368058 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9400646 0.80 MAPT (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL28808509 0.79 MEN1 (0.72) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL18092607 0.79 MEN1 (0.72) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL3107611 0.79 PRNP (0.71) ALDH1A1MEN1KMT2APRNPCYP1A2
SCHEMBL1553071 0.79 NPSR1 (0.71) ALDH1A1MEN1KMT2APOLBPRNP
SCHEMBL7155170 0.78 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APOLBPKM

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 — — EP disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 — — US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 — — US disclosed
EP-1940470-B1 Antibody-drug conjugates and their use MEDAREX INC (US) 2013-04-17 — — EP disclosed
EP-2354163-A2 Conjugates of duocarmycin and anti-CD70 or anti-PSMA antibodies Medarex, Inc. (US) 2011-08-10 — — EP disclosed
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-06-10 — — US disclosed
US-20100113476-A1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF E. R. SQUIBB & SONS, L.L.C. 2010-05-06 — — US disclosed
EP-2121667-A2 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF Medarex Inc. (US) 2009-11-25 — — EP disclosed
EP-2114454-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF Medarex, Inc. (US) 2009-11-11 — — EP disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 — — US disclosed
EP-1940470-A2 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE Medarex Inc. (US) 2008-07-09 — — EP disclosed
US-7329760-B2 CC-1065 analog synthesis IMMUNOGEN INC. (US) 2008-02-12 — — US disclosed
EP-1492766-B1 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN INC (US) 2007-05-02 — — EP disclosed
WO-2007038658-A2 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE MEDAREX, INC. (US) 2007-04-05 — — WO disclosed
EP-1492766-A4 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN INC (US) 2005-12-14 — — EP disclosed
EP-1492766-A1 IMPROVED CC-1065 ANALOG SYNTHESIS Immunogen, Inc. (US) 2005-01-05 — — EP disclosed
WO-2003087055-A1 IMPROVED CC-1065 ANALOG SYNTHESIS IMMUNOGEN, INC. (US) 2003-10-23 — — WO disclosed
US-20030195365-A1 CC-1065 analog synthesis IMMUNOGEN INC. 2003-10-16 — — US disclosed
US-6586618-B1 Amination 1,3-dihydoxynaphthalene, then blocking, iodination, alkylation, cyclization and deblocking to give (5-hydroxy-3-amino-1-(S)-(chloromethyl)-1,2-dihydro-3H-benz(e)indole), used as chemical intermediates of antitumor agents IMMUNOGEN INC. 2003-07-01 — — US disclosed
US-6534660-B1 Halogenation, alkylation and ring-closure of protected 2-amino-4-hydroxynaphthalene under suitable conditions to provide desired racemate, isolating (-) isomer, removing protecting groups IMMUNOGEN, INC. 2003-03-18 — — 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 (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-20100113476-A1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF DNPEP, ANTXR2, CLSPN ALDH1A1 3210/4885MEN1 1329/4885KMT2A 1973/4885
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use CD47, ANTXR2, CD2BP2 ALDH1A1 1705/4885MEN1 2114/4885KMT2A 2408/4885
US-20030195365-A1 CC-1065 analog synthesis DCUN1D5, DCUN1D1, DBN1 ALDH1A1 319/4885MEN1 2585/4885KMT2A 2921/4885
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF XIAP, ADAM8, CLSPN ALDH1A1 2684/4885MEN1 1104/4885KMT2A 3733/4885

“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.