SCHEMBL2962728

SCHEMBL2962728

O=C(O)Nc1ccc(B(O)O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 1/20 0.43
IDO1 P14902 2/20 0.41
EPHX1 P07099 2/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
EP300 Q09472 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
CCR8 P51685 1/20 0.36

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
SCHEMBL2952211 0.81 CETP (0.49) RXFP1KMT2AIDO1RAB9AALDH1A1
SCHEMBL145213 0.80 TP53 (0.48) RXFP1KDM4EMAPT
SCHEMBL2952822 0.78 MEN1 (0.42) RXFP1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3149525 0.77 RAB9A (0.45) RAB9ANPC1CYP2C19ALDH1A1HPGD
SCHEMBL14549202 0.76 KDM4E (0.52) KMT2ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL1427222 0.76 MAPT (0.50) IDO1CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL29875461 0.76 MAPT (0.50) IDO1CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL2479073 0.76 IDO1 (0.60) IDO1EP300
SCHEMBL1979533 0.75 RXFP1 (0.41) RXFP1KMT2AIDO1EPHX1RAB9A
Hydrochloric Acid SCHEMBL11403968 0.74 KDM4E (0.50) KMT2ARAB9ANPC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US claimed
WO-2005024416-A1 WATER SOLUBLE BORONIC ACID FLUORESCENT REPORTER COMPOUNDS AND METHODS OF USE THEREOF WANG BINGHE (US) 2005-03-17 WO claimed
US-7767817-B2 Water soluble boronic acid fluorescent reporter compounds and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-03 US disclosed
US-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-29 US disclosed
WO-2005024416-A1 WATER SOLUBLE BORONIC ACID FLUORESCENT REPORTER COMPOUNDS AND METHODS OF USE THEREOF WANG BINGHE (US) 2005-03-17 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 (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-20070274922-A1 Water Soluble Boronic Acid Fluorescent Reporter Compounds and Methods of Use Thereof GUSB, BLVRB, BCL6 RXFP1 418/4885KMT2A 3814/4885IDO1 3829/4885

“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.