SCHEMBL8101002

SCHEMBL8101002

CC(C)NCC1CCc2[nH]c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3c2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 5/20 0.44
THRB P10828 1/20 0.44
PDE4B Q07343 3/20 0.44
PDE4D Q08499 3/20 0.44
HTT P42858 1/20 0.43
HTR1F P30939 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL8109096 0.85 KMT2A (0.46) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL8116663 0.79 JAK2 (0.46) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL8101435 0.77 HTR1F (0.47) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL8101432 0.77 HTR1F (0.47) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL8110483 0.76 MAPT (0.44) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL8110482 0.76 LMNA (0.45) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL8114970 0.75 F2R (0.46) ALDH1A1HTR1F
Bromide SCHEMBL8100818 0.75 RORC (0.43) ALDH1A1HTR1F
SCHEMBL8116199 0.75 HTR1F (0.45) KMT2AMEN1RAB9AMAPTALDH1A1
Phthalic Acid SCHEMBL8109209 0.75 VPS4B (0.41) KMT2AMEN1MAPTALDH1A1HTR1F

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
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
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO 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 KMT2A 2708/4885MEN1 458/4885RAB9A 2333/4885

“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.