SCHEMBL2809814

SCHEMBL2809814

C#Cc1cc(Cl)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
CYP3A4 P08684 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
NR4A2 P43354 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL29137848 0.82 TSHR (0.52) ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15
SCHEMBL28967097 0.81 SMN1; SMN2 (0.56) ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15
SCHEMBL29462390 0.77 TSHR (0.52) ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15
SCHEMBL164458 0.77 TSHR (0.52) ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15
SCHEMBL16178467 0.76 PTPN1 (0.42) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL718733 0.76 TP53 (0.48) ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15
SCHEMBL689815 0.74 PTPN1 (0.41) ALDH1A1CYP3A4SMN1; SMN2HPGDHSD17B10
SCHEMBL1544963 0.74 PTGDR2 (0.36) ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15
SCHEMBL8802741 0.74 CYP3A4 (0.48) ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15
SCHEMBL27713326 0.74 SMN1; SMN2 (0.48) ALDH1A1TSHRCYP3A4SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024222614-A1 HETEROCYCLIC GSPT1 DEGRADATION AGENT 北京诺诚健华医药科技有限公司 2024-10-31 WO disclosed
CN-118619880-A Low-cost and environment-friendly method for preparing 4-hydroxyquinoline-2 (1H) -ketone compound 浙江外国语学院 2024-09-10 CN disclosed
CN-117486844-A Green synthesis method of photo-promoted quaternary carbon center-containing phthalide derivative 重庆医科大学 2024-02-02 CN disclosed
CN-117384201-A 1-alkenyl indole compound and preparation method thereof 鲁东大学 2024-01-12 CN disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
CN-113416166-B Method for preparing 4-hydroxyquinoline-2 (1H) -ketone compound 浙江外国语学院 2022-08-05 CN disclosed
CN-113416166-A Method for preparing 4-hydroxyquinoline-2 (1H) -ketone compound 浙江外国语学院 2021-09-21 CN disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
CN-105859725-A 5,10-dihydroindolo[3,2-b]indole derivative synthesis method 天津大学 2016-08-17 CN disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP 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 (4 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B ALDH1A1 401/4885TSHR 3644/4885CYP3A4 1909/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 ALDH1A1 1480/4885TSHR 4692/4885CYP3A4 3918/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 ALDH1A1 3993/4885TSHR 424/4885CYP3A4 823/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 ALDH1A1 3993/4885TSHR 424/4885CYP3A4 823/4885

“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.