SCHEMBL1781808

SCHEMBL1781808

CC(=O)N(C)c1ccc(Br)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
BRD4 O60885 1/20 0.43
ACLY P53396 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 3/20 0.39
HTT P42858 2/20 0.39
PDK2 Q15119 1/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 2/20 0.38
AHR P35869 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL10865877 0.83 FSCN1 (0.50) FSCN1MEN1KMT2ABRD4ACLY
SCHEMBL7755460 0.80 NR1H4 (0.48) FSCN1MEN1KMT2ABRD4ACLY
SCHEMBL850628 0.80 ALDH1A1 (0.46) FSCN1KMT2ABRD4ALDH1A1MAPT
SCHEMBL30638957 0.79 ALDH1A1 (0.51) FSCN1MEN1KMT2AACLYALDH1A1
SCHEMBL22324852 0.79 SMN1; SMN2 (0.44) FSCN1KMT2ABRD4ALDH1A1MAPT
SCHEMBL10748756 0.78 MEN1 (0.51) MEN1KMT2ABRD4ALDH1A1MAPT
SCHEMBL31425873 0.78 MEN1 (0.42) MEN1KMT2ABRD4ALDH1A1MAPT
SCHEMBL879774 0.77 SMN1; SMN2 (0.41) FSCN1BRD4ALDH1A1MAPTSMN1; SMN2
SCHEMBL30016960 0.77 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14426576 0.76 GPBAR1 (0.48) FSCN1MEN1KMT2AACLYALDH1A1

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-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
CN-102015728-A Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INT 2011-04-13 CN disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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 (2 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R FSCN1 4701/4885MEN1 938/4885KMT2A 2863/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R FSCN1 4701/4885MEN1 938/4885KMT2A 2863/4885

“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.