SCHEMBL819947

SCHEMBL819947

C=Cc1ncccc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
TDO2 P48775 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 6/20 0.42
TP53 P04637 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL10824239 0.78 TOP1 (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL398499 0.78 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4157534 0.77 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
Iodide SCHEMBL27658785 0.77 TOP1 (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL858806 0.76 KDM4E (0.72) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10022113 0.76 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2974175 0.75 SQOR (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12853975 0.74 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL22881677 0.74 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12853986 0.74 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220025432-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE FUTURESYNTHESIS SPÓLKA Z O.O. (PL) 2022-01-27 US claimed
EP-3891225-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE Futuresynthesis Spólka z o.o. (PL) 2021-10-13 EP claimed
WO-2020117079-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE FUTURESYNTHESIS SPÓLKA Z O.O. (PL) 2020-06-11 WO claimed
JP-2115854-A None JP disclosed
US-20220025432-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE FUTURESYNTHESIS SPÓLKA Z O.O. (PL) 2022-01-27 US disclosed
EP-3891225-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE Futuresynthesis Spólka z o.o. (PL) 2021-10-13 EP disclosed
WO-2020117079-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE FUTURESYNTHESIS SPÓLKA Z O.O. (PL) 2020-06-11 WO disclosed
US-8445731-B2 Process for producing bisphenol compound MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-21 US disclosed
US-20120010434-A1 PROCESS FOR PRODUCING BISPHENOL COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2012-01-12 US disclosed
JP-H02115854-A MATERIAL FOR PHOTODECOLORABLE LAYER FOR ENHANCING CONTRAST AND METHOD FOR FORMING PATTERN BY USING THE SAME OKI ELECTRIC IND CO LTD 1990-04-27 JP 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-20220025432-A1 METHOD FOR FLUORESCENCE LABELING OF BIOLOGICAL MATERIALS, THERMALLY REMOVABLE FLUORESCENT LABELS FOR THIS METHOD, AND METHODS OF THEIR PREPARATION AND USE DUT, NOP2, NUDT1 KDM4E 4681/4885LMNA 302/4885CCR1 1095/4885
US-20120010434-A1 PROCESS FOR PRODUCING BISPHENOL COMPOUND SULT2A1, SULT1A1, PLPBP KDM4E 937/4885LMNA 4145/4885CCR1 3703/4885

“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.