SCHEMBL4169706

SCHEMBL4169706

C1=NCCC(c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.42
SIGMAR1 Q99720 1/20 0.42
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
GRIN2B Q13224 2/20 0.34
DRD2 P14416 1/20 0.34
ADRA1A P35348 2/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PRKACA P17612 1/20 0.34
LTK P29376 1/20 0.34
GRK5 P34947 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAPK8 P45983 1/20 0.34
CSNK1A1 P48729 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
Hydrochloric Acid SCHEMBL6997190 0.98 SLC18A3 (0.41) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL22506964 0.88 HTR2C (0.35) DRD2DHFR
SCHEMBL16571300 0.82
SCHEMBL11540130 0.82 MAPT (0.34) GAAMAPT
SCHEMBL6156723 0.80 SLC18A3 (0.36) SLC18A3MAPT
SCHEMBL655216 0.80 HTR3A (0.43) SLC18A3MAPTDRD2ADRA1A
Hydrochloric Acid SCHEMBL7658988 0.79 KDM1A (0.37)
SCHEMBL1371597 0.78 SLC18A3 (0.40) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL385172 0.73 SLC18A3 (0.48) SLC18A3SIGMAR1GAAMAPTAKR1C3
SCHEMBL206905 0.73 SLC18A3 (0.54) SLC18A3SIGMAR1GAAMAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 US disclosed
EP-1723124-A1 PROPENOYL HYDRAZIDES Georgia Tech Research Corporation (US) 2006-11-22 EP disclosed
US-20050256058-A1 Propenoyl hydrazides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-17 US disclosed
WO-2005080353-A1 PROPENOYL HYDRAZIDES GEORGIA TECH RESEARCH CORPORATION (US) 2005-09-01 WO disclosed
EP-0730451-A4 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RES FOUNDATION INC (US) 2001-11-28 EP disclosed
US-5874433-A Blocking utilization of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-02-23 US disclosed
EP-0730451-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-09-11 EP disclosed
US-5502050-A DIHYDROXYPHENYL-SUBSTITITED PYRIDINES OR QUINONES, HYPERTENSIVE AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-03-26 US disclosed
WO-1995014468-A1 BLOCKING UTILIZATION OF TETRAHYDROBIOPTERIN TO BLOCK INDUCTION OF NITRIC OXIDE SYNTHESIS CORNELL RESEARCH FOUNDATION INC. (US) 1995-06-01 WO 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-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP SLC18A3 3581/4885SIGMAR1 4866/4885GAA 347/4885

“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.