SCHEMBL8101239

SCHEMBL8101239

O=C(CCCOc1ccccc1)Nc1ccc2[nH]c3c(c2c1)CC(NCCc1cccc(I)c1)CC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
PARP1 P09874 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30908961 1.00 MAPT (0.41) MAPTALOX15PARP1SMN1; SMN2HTT
SCHEMBL8101236 0.83 LMNA (0.37) MAPTALOX15SMN1; SMN2HTTALDH1A1
SCHEMBL8641001 0.76 HTR1B (0.56) MAPTPARP1EGFRIGF1RFLT4
SCHEMBL8110483 0.76 MAPT (0.44) MAPTALOX15PARP1SMN1; SMN2HTT
Oxalic Acid SCHEMBL8646070 0.75 HTR1B (0.53) EGFRIGF1RFLT4KDRTSHR
Hydrochloric Acid SCHEMBL8109539 0.74 HTR1A (0.52) ALDH1A1HTR1ADRD2DRD4HTR1B
SCHEMBL7655326 0.74 HTR1F (0.61) MAPTALOX15SMN1; SMN2ALDH1A1HTR1A
SCHEMBL8114522 0.74 TRPA1 (0.44) MAPTALOX15SMN1; SMN2ALDH1A1HTR1A
Hydrochloric Acid SCHEMBL8110496 0.74 RB1 (0.44) MAPTALOX15SMN1; SMN2ALDH1A1HTR1A
Hydrochloric Acid SCHEMBL7653732 0.74 HTR1F (0.60) MAPTALOX15SMN1; SMN2ALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ LP (CA) 2026-05-07 US disclosed
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 EP disclosed
US-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 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 (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-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS HTR1F, HTR1A, HTR1D MAPT 3544/4885ALOX15 836/4885PARP1 2031/4885

“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.