SCHEMBL8680930

SCHEMBL8680930

COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(c2ccccc2)c2ccccc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
LMNA P02545 4/20 0.38
GAA P10253 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALPG P10696 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PLIN1 O60240 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
GFER P55789 1/20 0.37

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
SCHEMBL976219 0.88 MAPT (0.50) MAPTMEN1KMT2ALMNAGAA
SCHEMBL13326515 0.88 MAPT (0.50) MAPTMEN1KMT2ALMNAGAA
SCHEMBL30612732 0.88 MAPT (0.50) MAPTMEN1KMT2ALMNAGAA
SCHEMBL29473569 0.88 MAPT (0.50) MAPTMEN1KMT2ALMNAGAA
SCHEMBL8680277 0.88 MAPT (0.40) MAPTMEN1KMT2ALMNAGAA
SCHEMBL1300804 0.88 SMN1; SMN2 (0.37) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL8680346 0.88 MAPT (0.39) MAPTMEN1KMT2ALMNAGAA
SCHEMBL8680358 0.87 SMN1; SMN2 (0.47) MAPTMEN1KMT2ALMNAGAA
SCHEMBL29624244 0.85 KMT2A (0.39) MAPTMEN1KMT2ALMNAGAA
SCHEMBL8680539 0.85 MAPT (0.46) MAPTMEN1KMT2ALMNAGAA

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-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-03 US disclosed
US-20100034961-A1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR FRESHPOINT HOLDINGS SA (CH) 2010-02-11 US disclosed
US-20100034961-A1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR FRESHPOINT HOLDINGS SA (CH) 2010-02-11 US disclosed
WO-2008083925-A1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR FRESHPOINT HOLDINGS SA (CH) 2008-07-17 WO disclosed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed
US-3999989-A SALTS OF INDOLINE SPIROBENZOPYRANS FUJI PHOTO FILM CO., LTD. (JA) 1976-12-28 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-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS TTN, CCNI, TPH1 MAPT 90/4885MEN1 2519/4885KMT2A 1072/4885
US-20100034961-A1 PHOTOSTABILIZED TIME TEMPERATURE INDICATOR TTI1, NQO2, CCNI MAPT 3732/4885MEN1 828/4885KMT2A 4254/4885

“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.