SCHEMBL12759790

SCHEMBL12759790

Cn1c(-c2ccc(F)cc2Br)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
PKM P14618 4/20 0.49
TP53 P04637 4/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 7/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
HSD17B10 Q99714 3/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.46
CYP11B1 P15538 1/20 0.45

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
SCHEMBL6298381 0.85 SMN1; SMN2 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL27611222 0.84 SMN1; SMN2 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL228955 0.82 ALDH1A1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL2890917 0.80 RAB9A (0.49) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL20867354 0.79 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL3508179 0.77 RAB9A (0.51) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL20867563 0.77 SMN1; SMN2 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL3714642 0.75 PDE10A (0.56) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL9322088 0.75 ALDH1A1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL1533895 0.75 KDM4E (0.48) NPC1RAB9AALDH1A1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 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 (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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 NPC1 2788/4885RAB9A 2280/4885ALDH1A1 2296/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 NPC1 2788/4885RAB9A 2280/4885ALDH1A1 2296/4885

“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.