SCHEMBL9836829

SCHEMBL9836829

CCCCN1C(=O)C2=C(c3ccccc3)N(CCCC)C(=O)C2=C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
CES1 P23141 2/20 0.43
NR1H3 Q13133 2/20 0.43
CDC25A P30304 1/20 0.43
NR1H2 P55055 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
Benzene SCHEMBL28080829 0.86 LCK (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14560461 0.86 LCK (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6388610 0.84 MEN1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9835081 0.83 TP53 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2941159 0.83 CNR1 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14757433 0.83 CDC25A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9835835 0.82 NR1H2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7004036 0.81 LCK (0.42) RAB9ASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL7004266 0.81 TERT (0.46) MEN1KMT2ACYP1A2CYP2C19
SCHEMBL14560466 0.81 ALDH1A1 (0.53) ALDH1A1ALDH2ALDH3A1CES1NR1H3

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
US-9697956-B2 Diketopyrrolopyrole (DPP)-based sensitizers for electrochemical or optoelectronic devices ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-07-04 US disclosed
EP-2892977-B9 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2017-05-03 EP disclosed
EP-2892977-B1 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2017-01-04 EP disclosed
US-20150213966-A1 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2015-07-30 US disclosed
EP-2892977-A2 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2015-07-15 EP disclosed
WO-2014033582-A2 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-03-06 WO disclosed
EP-2703468-A1 Diketopyrrolopyrole (DPP)-based sensitizers for electrochemical or optoelectronic devices Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2014-03-05 EP disclosed
EP-0133156-B1 1,4-DIKETOPYRROLO-(3,4-C) PYRROLES CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4666455-A Compositions pigmented with N-substituted 1,4-diketopyrrolo-[3,4-c]-pyrroles CIBA-GEIGY CORPORATION (US) 1987-05-19 US disclosed
US-4585878-A N-substituted 1,4-diketopyrrolo-[3,4-c]-pyrroles CIBA-GEIGY CORPORATION (US) 1986-04-29 US disclosed
EP-0133156-A2 1,4-Diketopyrrolo-(3,4-c) pyrroles CIBA-GEIGY AG (CH) 1985-02-13 EP 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 (1 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-20150213966-A1 DIKETOPYRROLOPYROLE (DPP)-BASED SENSITIZERS FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES DDT, PDK1, PPOX NPC1 3853/4885RAB9A 3461/4885SMN1; SMN2 4766/4885

“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.