SCHEMBL4798872

SCHEMBL4798872

Nc1c2ccccc2c(N)c2c(-c3ccccc3)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ LIMK1 P53667 4/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ LTK P29376 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ CSNK1A1 P48729 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ ACVR1 Q04771 1/20 0.46
▸ TNK2 Q07912 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ HKDC1 Q2TB90 1/20 0.43
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 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
SCHEMBL27521144 0.96 HSD17B10 (0.43) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL27978941 0.86 ALDH1A1 (0.45) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL27888667 0.85 NPC1 (0.39) LIMK1CLK4MAP4K4CSF1RFGFR1
SCHEMBL29444820 0.82 MAP4K4 (0.50) ALDH1A1LIMK1CLK4MAP4K4CSF1R
SCHEMBL27872234 0.81 MAPT (0.39) KDRHKDC1CRHBPCRHR2KEAP1
SCHEMBL27888665 0.81 SMN1; SMN2 (0.37) ALDH1A1KDRHKDC1CRHBPCRHR2
SCHEMBL27872142 0.81 DGAT1 (0.43) ALDH1A1HKDC1KDM4ESMN1; SMN2RAB9A
SCHEMBL27961869 0.77 ACHE (0.59) ALDH1A1HSD17B10LIMK1CLK4MAP4K4
SCHEMBL27888528 0.76 HKDC1 (0.44) ALDH1A1HKDC1CRHBPCRHR2KEAP1
SCHEMBL21333922 0.76 RXRA (0.39) ALDH1A1HKDC1CRHBPCRHR2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080241591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PHENYLENEDIAMINE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2008-10-02 — — US disclosed
US-7399537-B2 Organic electroluminescence device and phenylenediamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2008-07-15 — — US disclosed
CN-101096344-A Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2008-01-02 — — CN disclosed
US-20060082294-A1 Organic electroluminescence device and phenylenediamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2006-04-20 — — US disclosed
US-20030143430-A1 Organic electroluminescence device and phenylenediamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2003-07-31 — — US disclosed
US-6541129-B1 Having a long life time that can decrease the driving voltage; using a phenylenediamine material having a small ionization potential and exhibiting a large hole mobility IDEMITSU KOSAN CO., LTD. (JP) 2003-04-01 — — US disclosed
EP-1029909-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PHENYLENEDIAMINE DERIVATIVE Idemitsu Kosan Co., Ltd. (JP) 2000-08-23 — — 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 (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-20080241591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PHENYLENEDIAMINE DERIVATIVE MAL2, L1CAM, EPCAM ALDH1A1 734/4885HSD17B10 1666/4885LIMK1 897/4885
US-20030143430-A1 Organic electroluminescence device and phenylenediamine derivative MAL2, SLC7A5, OCIAD2 ALDH1A1 755/4885HSD17B10 1312/4885LIMK1 1027/4885

“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.

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