SCHEMBL12103897

SCHEMBL12103897

CC(=O)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ HDAC1 Q13547 10/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ RAB9A P51151 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ VHL P40337 1/20 0.50
▸ HDAC2 Q92769 8/20 0.49
▸ HDAC3 O15379 7/20 0.49
▸ HDAC8 Q9BY41 6/20 0.49
▸ HDAC11 Q96DB2 3/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TP53 P04637 1/20 0.42
▸ ADAMTS4 O75173 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL25511293 0.84 KMT2A (0.41) KMT2AHDAC1HDAC6RAB9AMAPT
SCHEMBL18119788 0.84 KMT2A (0.56) KMT2AHDAC1HDAC6RAB9AMAPT
SCHEMBL12103905 0.83 KMT2A (0.51) KMT2AHDAC1HDAC6RAB9AMAPT
SCHEMBL26157078 0.83 ERCC1 (0.50) KMT2AHDAC1MAPTALDH1A1KDM4E
SCHEMBL15748044 0.82 CYP3A4 (0.55) KMT2AHDAC1HDAC6ALDH1A1HDAC2
SCHEMBL16384737 0.82 TPSAB1 (0.49) KMT2AHDAC1HDAC6ALDH1A1HDAC2
SCHEMBL24633926 0.80 TGM2 (0.56) HDAC1HDAC6MAPTALDH1A1HDAC2
SCHEMBL16616006 0.80 NAMPT (0.53) HDAC1HDAC6MAPTEPHX2NR1H4
SCHEMBL14677758 0.79 HTT (0.57) KMT2AALDH1A1KDM4E
SCHEMBL26036197 0.79 TPSAB1 (0.49) KMT2AHDAC1HDAC6ALDH1A1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4186529-A1 IMPROVED ANTIBODY-PAYLOAD CONJUGATES (APCS) PREPARED BY SITE-SPECIFIC CONJUGATION UTILIZING GENETIC CODE EXPANSION Veraxa Biotech GmbH (DE) 2023-05-31 — — EP disclosed
WO-2023081809-A1 TRANS-CYCLOOCTENE-MODIFIED BISPECIFIC ANTIBODIES TAMBO, INC. (US) 2023-05-11 — — WO disclosed
US-20150344514-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-12-03 — — US disclosed
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2015-10-22 — — US disclosed
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 — — US disclosed
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 — — US disclosed
US-8900549-B2 Compositions and methods for delivering a substance to a biological target THE GENERAL HOSPITAL CORPORATION (US) 2014-12-02 — — US disclosed
WO-2014081300-A1 CHANNEL PROTEIN ACTIVATABLE LIPOSOMES TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 — — WO disclosed
WO-2014081303-A1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B.V. (NL) 2014-05-30 — — WO disclosed
US-20130302246-A1 COMPOSITIONS AND METHODS FOR DELIVERING A SUBSTANCE TO A BIOLOGICAL TARGET THE GENERAL HOSPITAL CORPORATION 2013-11-14 — — US disclosed
WO-2013148189-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-03 — — WO disclosed
US-20110268654-A1 COMPOSITIONS AND METHODS FOR DELIVERING A SUBSTANCE TO A BIOLOGICAL TARGET THE GENERAL HOSPITAL CORPORATION (US) 2011-11-03 — — 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-20150344514-A1 CHEMICALLY CLEAVABLE GROUP SQLE, CTRL, ENO1 KMT2A 3934/4885HDAC1 4199/4885HDAC6 4562/4885
US-20150297741-A1 BIO-ORTHOGONAL DRUG ACTIVATION KIT, JMJD7, TPSB2 KMT2A 3455/4885HDAC1 3780/4885HDAC6 4274/4885
US-20110268654-A1 COMPOSITIONS AND METHODS FOR DELIVERING A SUBSTANCE TO A BIOLOGICAL TARGET FCER2, EPCAM, EPHA2 KMT2A 3935/4885HDAC1 4271/4885HDAC6 2590/4885
US-20130302246-A1 COMPOSITIONS AND METHODS FOR DELIVERING A SUBSTANCE TO A BIOLOGICAL TARGET FCER2, EPCAM, EPHA2 KMT2A 3935/4885HDAC1 4271/4885HDAC6 2590/4885

“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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