SCHEMBL10126680

SCHEMBL10126680

CNCc1cccc(Cl)c1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.49
SLC6A2 P23975 5/20 0.49
SLC6A3 Q01959 5/20 0.49
TAAR1 Q96RJ0 1/20 0.47
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
P2RX7 Q99572 9/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR2A P28223 2/20 0.42
KCNH2 Q12809 1/20 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
SCHEMBL3001718 0.81 PNMT (0.56) SLC6A4SLC6A2SLC6A3TAAR1ALDH1A1
SCHEMBL296089 0.80 TAAR1 (0.63) SLC6A4SLC6A2SLC6A3TAAR1LMNA
SCHEMBL21345495 0.79 LMNA (0.46) LMNAHPGDALOX12P2RX7ALDH1A1
SCHEMBL1254035 0.78 TP53 (0.44) SLC6A4SLC6A2SLC6A3P2RX7HTR2A
SCHEMBL13886573 0.78 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3TAAR1P2RX7
SCHEMBL23202539 0.77 CHRM2 (0.49) SLC6A4SLC6A3LMNAHPGDALOX12
SCHEMBL18887689 0.77 P2RX7 (0.43) LMNAHPGDALOX12P2RX7ALDH1A1
SCHEMBL3126847 0.77 P2RX7 (0.56) LMNAHPGDALOX12P2RX7
Hydrochloric Acid SCHEMBL6252762 0.76 SLC6A2 (0.46) SLC6A4SLC6A2SLC6A3TAAR1P2RX7
SCHEMBL736962 0.76 GLA (0.53) P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed
WO-2021011834-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
WO-2019170086-A1 ACYL-SUBSTITUTED OXAZINO-QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 WO disclosed
US-20120016117-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120016117-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 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 (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-20120016117-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND SCN9A, SCN1A, SCN1B SLC6A4 3834/4885SLC6A2 4005/4885SLC6A3 3632/4885
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 SLC6A4 2125/4885SLC6A2 3228/4885SLC6A3 2598/4885

“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.