SCHEMBL3867784

SCHEMBL3867784

O=S(=O)(O)CCCCc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 2/20 0.53
MPO P05164 1/20 0.53
CYP2A6 P11509 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
CTSK P43235 1/20 0.53
HTR6 P50406 1/20 0.53
CYP2A13 Q16696 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HTR1A P08908 1/20 0.52
ALDH1A1 P00352 3/20 0.52

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
SCHEMBL3867782 1.00 SLC6A4 (0.54) SLC6A4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30952641 0.89 HTR2A (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2D6
Indolylpropionic Acid SCHEMBL15880225 0.88 MAPT (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL917538 0.85 MC5R (0.59) MEN1KMT2ACYP1A2HTR2AHTR1A
SCHEMBL7004146 0.83 HTR2A (0.71) SLC6A4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL13255471 0.83 HTR1A (0.58) SLC6A4KMT2AHTR1BHTR2AHTR2C
SCHEMBL7004071 0.82 HTR2A (0.69) SLC6A4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7889427 0.82 HTR2A (0.69) SLC6A4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7001306 0.82 HTR2A (0.69) SLC6A4MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7005718 0.80 HTR2A (0.71) SLC6A4MEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436938-A Impurity in indocyanine green medicament and preparation method and application thereof 南京诺源医疗器械有限公司 2022-05-06 CN claimed
CN-107709323-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-11-20 CN disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
CN-107709323-A Oxipurinol class compound and its application 广东众生药业股份有限公司 2018-02-16 CN disclosed
EP-2850061-A2 HALOGENATED COMPOUNDS FOR PHOTODYNAMIC THERAPY Nanoquantum Sciences Inc. (US) 2015-03-25 EP disclosed
WO-2013134081-A2 HALOGENATED COMPOUNDS FOR PHOTODYNAMIC THERAPY NANOQUANTUM SCIENCES. INC. (US) 2013-09-12 WO disclosed
EP-2046895-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE Healthcare AS (NO) 2009-04-15 EP disclosed
WO-2008015415-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE HEALTHCARE AS (NO) 2008-02-07 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-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A SLC6A4 1094/4885MEN1 3692/4885KMT2A 3576/4885

“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.