SCHEMBL2222010

SCHEMBL2222010

Cc1cc(-c2ccc(C=O)o2)c([N+](=O)[O-])cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
HPGD P15428 2/20 0.62
PKM P14618 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPT P10636 6/20 0.60
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MCL1 Q07820 1/20 0.55
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
EP300 Q09472 10/20 0.50
F5 P12259 1/20 0.50
CREBBP Q92793 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2350945 0.84 MAPT (0.65) ALDH1A1KMT2AMEN1HPGDPKM
SCHEMBL22171703 0.81 KMT2A (0.54) ALDH1A1KMT2AMEN1HPGDPKM
SCHEMBL16029793 0.79 GSK3A (0.58) ALDH1A1KMT2AMEN1HPGDPKM
SCHEMBL31358800 0.79 KMT2A (0.60) ALDH1A1KMT2AMEN1HPGDPKM
SCHEMBL6589648 0.78 MAPT (0.59) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL2262163 0.78 MAPT (0.63) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL2322204 0.77 KMT2A (0.61) ALDH1A1KMT2AMEN1HPGDPKM
SCHEMBL14999171 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HPGDPKM
SCHEMBL14991099 0.75 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1HPGDPKM
SCHEMBL5737262 0.75 MAPT (0.58) ALDH1A1KMT2AMEN1HPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110862383-A Histone acetyltransferase P300 small-molecule inhibitor, medicinal composition thereof and application thereof 复旦大学 2020-03-06 CN disclosed
US-9138439-B2 Methods and compositions for modulating P300/CBP activity THE WISTAR INSTITUTE (US) 2015-09-22 US disclosed
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 US disclosed
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 US disclosed
US-20130345267-A1 METHODS AND COMPOSITIONS FOR MODULATING P300/CBP ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-12-26 US disclosed
US-8476458-B2 Methods and compositions for modulating P300/CBP activity THE WISTAR INSTITUTE (US) 2013-07-02 US disclosed
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2013-06-06 US disclosed
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2013-06-06 US disclosed
WO-2011085039-A2 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 WO disclosed
US-20100216853-A1 Methods and Compositions for Modulating P300/CBP Activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-26 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 (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-20100216853-A1 Methods and Compositions for Modulating P300/CBP Activity EP300, CREBBP, HDAC1 ALDH1A1 2328/4885KMT2A 252/4885MEN1 2982/4885
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES EP300, HDAC1, KAT2A ALDH1A1 677/4885KMT2A 60/4885MEN1 3023/4885
US-20130345267-A1 METHODS AND COMPOSITIONS FOR MODULATING P300/CBP ACTIVITY EP300, CREBBP, HDAC1 ALDH1A1 2328/4885KMT2A 252/4885MEN1 2982/4885

“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.