SCHEMBL19604508

SCHEMBL19604508

CC(Br)Oc1ccc(-c2c[nH]cc2C(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.41
CYP2C9 P11712 2/20 0.41
PKM P14618 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL19604507 0.82 SMN1; SMN2 (0.89) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19599377 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10844950 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL19604501 0.76 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9341973 0.75 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16800111 0.72 ELANE (0.55) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL27634042 0.70 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13356437 0.66 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2KMT2AMAPK1HTT
SCHEMBL2020254 0.66 CA4 (0.43) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL18978115 0.66 KMT2A (0.69) ALDH1A1MEN1KMT2AGAAELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327518-A1 COMPOUND FOR LABELING MITOCHONDRIA AND METHOD OF PRODUCING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-11-16 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-20170327518-A1 COMPOUND FOR LABELING MITOCHONDRIA AND METHOD OF PRODUCING THE SAME MT-ND2, UQCRC2, MT-CO1 ALDH1A1 471/4885SMN1; SMN2 1581/4885MAPT 997/4885

“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.