SCHEMBL5111323

SCHEMBL5111323

Cc1cc(C)cc(-c2cc[nH]n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
METAP2 P50579 2/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 2/20 0.32
CYP2C9 P11712 1/20 0.32
TYMP P19971 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
METAP1 P53582 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
ALPL P05186 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL2771925 0.91 ALDH1A1 (0.43) NOTUMMETAP2IDO1MEN1KMT2A
SCHEMBL28478227 0.84 ERBB2 (0.30) RAB9AHTTNPC1
SCHEMBL28313237 0.84
SCHEMBL18051409 0.82 NOTUM (0.48) NOTUMIDO1RXRARXRB
SCHEMBL3401179 0.82 IDO1 (0.56) NOTUMMETAP2IDO1RAB9ANPC1
SCHEMBL19039332 0.81 POLB (0.36) MEN1KMT2APOLBL3MBTL1ALPL
SCHEMBL23815328 0.80 CYP2A6 (0.43) METAP2IDO1
SCHEMBL2765284 0.80 KMT2A (0.52) NOTUMMETAP2MEN1LMNAKMT2A
SCHEMBL19186830 0.78 KMT2A (0.50) NOTUMMETAP2MEN1LMNAKMT2A
SCHEMBL13033939 0.78 IKBKB (0.37) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108203408-B Pyrazole compound containing N-aryl sulfonate as well as synthesis and application thereof 兰州大学 2020-07-21 CN claimed
CN-108203408-B Pyrazole compound containing N-aryl sulfonate as well as synthesis and application thereof 兰州大学 2020-07-21 CN disclosed
CN-100436463-C Metal complex and organic electroluminescent display device using same AU OPTRONICS CORP (CN) 2008-11-26 CN disclosed
US-7332233-B2 Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO., LTD. (KR) 2008-02-19 US disclosed
US-20070087221-A1 Metal complex and organic electroluminescent device using the same AU OPTRONICS CORP. (TW) 2007-04-19 US disclosed
CN-1840536-A Metal complex and organic electroluminescent display device using same AU OPTRONICS CORP (CN) 2006-10-04 CN disclosed
CN-1772758-A Metal complex and organic electroluminescent display device using the same YOUDE OPTOELECTRONICS CO LTD (CN) 2006-05-17 CN disclosed
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2005-02-10 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 (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-20050031903-A1 Iridium compound and organic electroluminescent device using the same IK, ALPL, PPIP5K2 NOTUM 784/4885METAP2 4258/4885IDO1 1179/4885

“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.