SCHEMBL4051295

SCHEMBL4051295

O=C(CCl)NCC1CCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
USP2 O75604 1/20 0.70
HPGD P15428 6/20 0.68
TP53 P04637 1/20 0.68
ALOX12 P18054 1/20 0.68
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL4055789 0.82 SMN1; SMN2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL8288443 0.82 SMN1; SMN2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL25739943 0.82 SMN1; SMN2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL26789169 0.82 USP2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL26789172 0.82 USP2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL8288440 0.82 SMN1; SMN2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL3154658 0.82 USP2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL24575950 0.81 HPGD (0.72) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL5674448 0.81 SMN1; SMN2 (0.68) SMN1; SMN2USP2HPGDTP53ALOX12
Hydrochloric Acid SCHEMBL4218039 0.81 SMN1; SMN2 (0.68) SMN1; SMN2USP2HPGDTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12472166-B2 Inhibition of mycobacterial type VII secretion STICHTING VUMC (NL) 2025-11-18 US disclosed
EP-4021898-B1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION Stichting Amsterdam UMC (NL) 2024-05-29 EP disclosed
US-20220280487-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION STICHTING VU (NL) 2022-09-08 US disclosed
EP-4021898-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION Stichting VUmc (NL) 2022-07-06 EP disclosed
WO-2021040519-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION STICHTING VUMC (NL) 2021-03-04 WO disclosed
WO-2021040519-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION STICHTING VUMC (NL) 2021-03-04 WO disclosed
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US disclosed
EP-1819710-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 WO disclosed
EP-0010231-B1 POLYPHOSPHAZENE POLYMERS CONTAINING N-SUBSTITUTED AMIDO AND IMIDO SUBSTITUENTS AND PROCESS FOR THEIR PREPARATION THE FIRESTONE TIRE & RUBBER COMPANY (US) 1982-12-15 EP disclosed
US-4218557-A PROTECTIVE COATINGS, MOLDINGS, FOAMS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-08-19 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 (3 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-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD SMN1; SMN2 760/4885USP2 2894/4885HPGD 35/4885
US-12472166-B2 Inhibition of mycobacterial type VII secretion CFTR, ABCB11, ABCC2 SMN1; SMN2 3835/4885USP2 890/4885HPGD 2319/4885
US-20220280487-A1 INHIBITION OF MYCOBACTERIAL TYPE VII SECRETION CFTR, ABCB11, ABCC2 SMN1; SMN2 3835/4885USP2 890/4885HPGD 2319/4885

“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.