SCHEMBL341383

SCHEMBL341383

CC(=O)c1cc(N2CCCC2)ccc1N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.73
MAPT P10636 9/20 0.53
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 6/20 0.53
GAA P10253 6/20 0.53
MEN1 O00255 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
ALOX15 P16050 3/20 0.53
HTT P42858 3/20 0.53
S100B P04271 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
PKM P14618 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
PRKDC P78527 1/20 0.48
KDM4E B2RXH2 5/20 0.46
GFER P55789 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL11736864 0.98 IP6K1 (0.71) IP6K1MAPTALDH1A1KMT2AGAA
SCHEMBL10739901 0.87 MAPT (0.59) IP6K1MAPTALDH1A1KMT2AGAA
SCHEMBL340945 0.86 PRKDC (0.67) IP6K1MAPTALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL3503462 0.86 MAPT (0.58) IP6K1MAPTALDH1A1KMT2AGAA
SCHEMBL8976368 0.85 IP6K1 (1.00) IP6K1MAPTALDH1A1KMT2AGAA
SCHEMBL7673611 0.85 IP6K1 (0.76) IP6K1MAPTALDH1A1KMT2AGAA
SCHEMBL6288053 0.84 IP6K1 (0.54) IP6K1MAPTALDH1A1KMT2AGAA
SCHEMBL8871236 0.83 IP6K1 (0.97) IP6K1MAPTALDH1A1KMT2AGAA
SCHEMBL2060966 0.83 IP6K1 (0.73) IP6K1MAPTALDH1A1KMT2AGAA
SCHEMBL17779230 0.83 IP6K1 (0.68) IP6K1MAPTALDH1A1KMT2AGAA

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-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-4053470-A BACTERICIDES, ANTIBIOTICS PARKE, DAVIS & COMPANY (US) 1977-10-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR IP6K1 4489/4885MAPT 2197/4885ALDH1A1 440/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 IP6K1 3153/4885MAPT 4760/4885ALDH1A1 1258/4885

“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.