SCHEMBL1100436

SCHEMBL1100436

CC(=O)n1ncc2c([N+](=O)[O-])cccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.64
TDP1 Q9NUW8 4/20 0.44
NOS1 P29475 1/20 0.44
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GAA P10253 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL18953636 0.87 CREBBP (0.48) CREBBPTDP1NOS1HTTPOLB
SCHEMBL18953635 0.87 CREBBP (0.48) CREBBPTDP1NOS1HTTPOLB
SCHEMBL1856772 0.85 CREBBP (0.47) CREBBPTDP1MEN1KMT2AALDH1A1
SCHEMBL6066037 0.82 CREBBP (0.45) CREBBPTDP1MEN1KMT2AALDH1A1
SCHEMBL1861487 0.81 CREBBP (0.44) CREBBPTDP1NOS1HTTPOLB
SCHEMBL29510797 0.81 CREBBP (0.44) CREBBPTDP1NOS1HTTALDH1A1
SCHEMBL2481191 0.81 CREBBP (0.44) CREBBPTDP1NOS1HTTALDH1A1
SCHEMBL27632906 0.79 CREBBP (0.44) CREBBPTDP1NOS1HTTPOLB
SCHEMBL1863124 0.79 CREBBP (0.42) CREBBPTDP1NOS1HTTALDH1A1
SCHEMBL6066042 0.79 CREBBP (0.42) CREBBPTDP1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CREBBP 424/4885TDP1 1691/4885NOS1 3738/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CREBBP 1066/4885TDP1 647/4885NOS1 1388/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 CREBBP 2045/4885TDP1 2337/4885NOS1 1809/4885

“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.