SCHEMBL10013653

SCHEMBL10013653

O=C(CBr)NCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 1/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
HSD17B10 Q99714 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
PKM P14618 1/20 0.56
QPCT Q16769 2/20 0.56
GAA P10253 1/20 0.55
POLB P06746 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL16807523 0.90 ALDH1A1 (0.55) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL7900662 0.86 L3MBTL1 (0.64) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL13472650 0.84 KDM4E (0.67) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL10663533 0.84 L3MBTL1 (0.62) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL13350354 0.84 L3MBTL1 (0.62) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL13655177 0.83 SMN1; SMN2 (0.72) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL18544251 0.83 L3MBTL1 (0.69) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL18317579 0.82 L3MBTL1 (0.68) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL6398857 0.82 L3MBTL1 (0.68) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2
SCHEMBL18381194 0.82 TBXAS1 (0.63) ALDH1A1L3MBTL1SMN1; SMN2NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999965-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2015-04-07 US disclosed
US-8999965-B2 Anthraquinone based near IR emitting compounds and uses thereof Life Technologies Corporation (US) 2015-04-07 US disclosed
US-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation (US) 2012-02-02 US disclosed
US-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF Life Technologies Corporation (US) 2012-02-02 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-20120028249-A1 ANTHRAQUINONE BASED NEAR IR EMITTING COMPOUNDS AND USES THEREOF ANTXR2, AAAS, IK ALDH1A1 1107/4885L3MBTL1 2745/4885SMN1; SMN2 4791/4885

“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.